 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer02_M11-def2SVPDr.in
 Output=12_L-valine_conformer02_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-9533.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9534.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer02_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:30:47 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer02_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.993585000000     -1.745239000000      0.239671000000
  C                                                 1.146313000000     -0.227898000000      0.348170000000
  C                                                 0.022230000000      0.528321000000     -0.394337000000
  C                                                -1.334181000000     -0.019042000000      0.029559000000
  O                                                -1.895092000000     -0.819097000000     -0.904886000000
  C                                                 2.512610000000      0.221644000000     -0.165139000000
  N                                                 0.120252000000      1.961163000000     -0.137216000000
  O                                                -1.871612000000      0.224745000000      1.080003000000
  H                                                 0.139200000000      0.359391000000     -1.466547000000
  H                                                 1.057344000000      0.051271000000      1.404065000000
  H                                                -2.740016000000     -1.132676000000     -0.543174000000
  H                                                -0.508250000000      2.478404000000     -0.740521000000
  H                                                -0.164535000000      2.150467000000      0.818641000000
  H                                                 3.309830000000     -0.231043000000      0.427299000000
  H                                                 2.652415000000     -0.089583000000     -1.204317000000
  H                                                 2.612209000000      1.304246000000     -0.118207000000
  H                                                 0.069521000000     -2.102603000000      0.696299000000
  H                                                 0.997459000000     -2.065164000000     -0.805227000000
  H                                                 1.823354000000     -2.242758000000      0.743721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528863   0.000000
     3  C    2.552366   1.544910   0.000000
     4  C    2.905580   2.509579   1.522874   0.000000
     5  O    3.242253   3.342127   2.398399   1.351997   0.000000
     6  C    2.517923   1.527201   2.519638   3.859228   4.588922
     7  N    3.826509   2.465844   1.459026   2.462600   3.518632
     8  O    3.577198   3.138206   2.419189   1.204864   2.242753
     9  H    2.840884   2.156938   1.091720   2.133635   2.417156
    10  H    2.141805   1.095794   2.129152   2.759276   3.847814
    11  H    3.863658   4.088603   3.226618   1.882704   0.971115
    12  H    4.588621   3.353639   2.050384   2.740880   3.581042
    13  H    4.105237   2.756136   2.034098   2.587951   3.844956
    14  H    2.773623   2.164966   3.472756   4.665831   5.404788
    15  H    2.752819   2.167416   2.820593   4.173772   4.615373
    16  H    3.470933   2.171134   2.717775   4.164963   5.044126
    17  H    1.090923   2.189793   2.848418   2.599259   2.840930
    18  H    1.092785   2.174403   2.801083   3.212480   3.151106
    19  H    1.090921   2.162061   3.495440   3.927463   4.309473
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.958054   0.000000
     8  O    4.557608   2.909346   0.000000
     9  H    2.710297   2.081623   3.247524   0.000000
    10  H    2.146911   2.627047   2.951930   3.029577   0.000000
    11  H    5.437571   4.232939   2.287230   3.371760   4.428703
    12  H    3.814397   1.013178   3.201881   2.331635   3.597403
    13  H    3.443151   1.015186   2.586663   2.919297   2.498466
    14  H    1.091544   3.911247   5.242242   3.740075   2.471329
    15  H    1.093754   3.428719   5.077769   2.566436   3.060678
    16  H    1.088186   2.577159   4.765048   2.970950   2.510949
    17  H    3.480357   4.148676   3.054795   3.277830   2.473035
    18  H    2.816893   4.174571   4.126663   2.655639   3.060042
    19  H    2.715581   4.620558   4.455831   3.806946   2.507069
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.249662   0.000000
    13  H    4.389382   1.629929   0.000000
    14  H    6.193173   4.825209   4.230361   0.000000
    15  H    5.532040   4.098715   4.128606   1.764760   0.000000
    16  H    5.896227   3.391635   3.050259   1.772389   1.767487
    17  H    3.220334   4.835690   4.261262   3.751626   3.786282
    18  H    3.860949   4.786999   4.664625   3.198465   2.607887
    19  H    4.869571   5.470715   4.822628   2.521256   3.019662
                   16         17         18         19
    16  H    0.000000
    17  H    4.328430   0.000000
    18  H    3.798992   1.765517   0.000000
    19  H    3.734495   1.760063   1.764336   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8120243           1.5720449           1.2312158
 Leave Link  202 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.1252170652 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sun Sep 26 19:30:49 2021, MaxMem=  6442450944 cpu:               7.4 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.64D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:30:49 2021, MaxMem=  6442450944 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:30:50 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer02_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:30:50 2021, MaxMem=  6442450944 cpu:               3.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442300239 LenY=  6442226898
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.868658496483    
 DIIS: error= 4.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.868658496483     IErMin= 1 ErrMin= 4.78D-03
 ErrMax= 4.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-02 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.52D-01 WtEn= 4.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.444 Goal=   None    Shift=    0.000
 GapD=    0.444 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.97D-03 MaxDP=1.59D-01              OVMax= 2.24D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.97D-03    CP:  1.01D+00
 E= -401.886044645859     Delta-E=       -0.017386149376 Rises=F Damp=F
 DIIS: error= 1.46D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.886044645859     IErMin= 2 ErrMin= 1.46D-03
 ErrMax= 1.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.69D-04 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.46D-02
 Coeff-Com:  0.895D-03 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.882D-03 0.999D+00
 Gap=     0.399 Goal=   None    Shift=    0.000
 RMSDP=1.16D-03 MaxDP=4.85D-02 DE=-1.74D-02 OVMax= 9.45D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.07D-04    CP:  1.01D+00  1.17D+00
 E= -401.886792424628     Delta-E=       -0.000747778769 Rises=F Damp=F
 DIIS: error= 9.84D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.886792424628     IErMin= 3 ErrMin= 9.84D-04
 ErrMax= 9.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.40D-04 BMatP= 9.69D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.84D-03
 Coeff-Com: -0.633D-01 0.482D+00 0.581D+00
 Coeff-En:   0.000D+00 0.225D-02 0.998D+00
 Coeff:     -0.627D-01 0.477D+00 0.585D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.05D-04 MaxDP=7.31D-03 DE=-7.48D-04 OVMax= 3.64D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.59D-04    CP:  1.01D+00  1.19D+00  9.82D-01
 E= -401.887287089647     Delta-E=       -0.000494665019 Rises=F Damp=F
 DIIS: error= 2.21D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.887287089647     IErMin= 4 ErrMin= 2.21D-04
 ErrMax= 2.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-05 BMatP= 7.40D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.21D-03
 Coeff-Com: -0.174D-01 0.585D-01 0.151D+00 0.808D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.173D-01 0.584D-01 0.150D+00 0.809D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=7.73D-05 MaxDP=2.81D-03 DE=-4.95D-04 OVMax= 1.66D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.71D-05    CP:  1.01D+00  1.20D+00  1.02D+00  1.17D+00
 E= -401.887309746536     Delta-E=       -0.000022656889 Rises=F Damp=F
 DIIS: error= 9.03D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.887309746536     IErMin= 5 ErrMin= 9.03D-05
 ErrMax= 9.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-06 BMatP= 2.27D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.245D-02-0.480D-01-0.330D-01 0.353D+00 0.726D+00
 Coeff:      0.245D-02-0.480D-01-0.330D-01 0.353D+00 0.726D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=3.15D-05 MaxDP=9.61D-04 DE=-2.27D-05 OVMax= 8.97D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.35D-05    CP:  1.01D+00  1.20D+00  1.05D+00  1.22D+00  1.10D+00
 E= -401.887315975973     Delta-E=       -0.000006229437 Rises=F Damp=F
 DIIS: error= 3.82D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.887315975973     IErMin= 6 ErrMin= 3.82D-05
 ErrMax= 3.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.92D-07 BMatP= 6.46D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.300D-02-0.291D-01-0.323D-01 0.866D-01 0.344D+00 0.628D+00
 Coeff:      0.300D-02-0.291D-01-0.323D-01 0.866D-01 0.344D+00 0.628D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=1.00D-05 MaxDP=3.69D-04 DE=-6.23D-06 OVMax= 3.43D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.65D-06    CP:  1.01D+00  1.20D+00  1.05D+00  1.23D+00  1.15D+00
                    CP:  1.14D+00
 E= -401.887316818824     Delta-E=       -0.000000842851 Rises=F Damp=F
 DIIS: error= 7.80D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.887316818824     IErMin= 7 ErrMin= 7.80D-06
 ErrMax= 7.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.52D-08 BMatP= 8.92D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-03 0.242D-02-0.473D-04-0.418D-01-0.533D-01 0.102D+00
 Coeff-Com:  0.991D+00
 Coeff:      0.113D-03 0.242D-02-0.473D-04-0.418D-01-0.533D-01 0.102D+00
 Coeff:      0.991D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=6.36D-06 MaxDP=3.48D-04 DE=-8.43D-07 OVMax= 2.51D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.17D-06    CP:  1.01D+00  1.20D+00  1.05D+00  1.23D+00  1.20D+00
                    CP:  1.31D+00  1.24D+00
 E= -401.887316933114     Delta-E=       -0.000000114290 Rises=F Damp=F
 DIIS: error= 2.18D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.887316933114     IErMin= 8 ErrMin= 2.18D-06
 ErrMax= 2.18D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-09 BMatP= 4.52D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.236D-03 0.289D-02 0.295D-02-0.144D-01-0.352D-01-0.459D-01
 Coeff-Com:  0.129D+00 0.961D+00
 Coeff:     -0.236D-03 0.289D-02 0.295D-02-0.144D-01-0.352D-01-0.459D-01
 Coeff:      0.129D+00 0.961D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.26D-06 MaxDP=1.37D-04 DE=-1.14D-07 OVMax= 8.62D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.17D-06    CP:  1.01D+00  1.20D+00  1.05D+00  1.23D+00  1.21D+00
                    CP:  1.37D+00  1.37D+00  1.22D+00
 E= -401.887316943780     Delta-E=       -0.000000010666 Rises=F Damp=F
 DIIS: error= 8.56D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.887316943780     IErMin= 9 ErrMin= 8.56D-07
 ErrMax= 8.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.85D-10 BMatP= 3.93D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.790D-04 0.638D-03 0.901D-03-0.748D-03-0.498D-02-0.247D-01
 Coeff-Com: -0.598D-01 0.293D+00 0.796D+00
 Coeff:     -0.790D-04 0.638D-03 0.901D-03-0.748D-03-0.498D-02-0.247D-01
 Coeff:     -0.598D-01 0.293D+00 0.796D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=7.07D-07 MaxDP=8.10D-05 DE=-1.07D-08 OVMax= 2.51D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.76D-07    CP:  1.01D+00  1.20D+00  1.05D+00  1.23D+00  1.21D+00
                    CP:  1.37D+00  1.41D+00  1.32D+00  1.21D+00
 E= -401.887316945113     Delta-E=       -0.000000001332 Rises=F Damp=F
 DIIS: error= 2.97D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.887316945113     IErMin=10 ErrMin= 2.97D-07
 ErrMax= 2.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.83D-11 BMatP= 6.85D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-04-0.258D-03-0.209D-03 0.184D-02 0.420D-02 0.185D-02
 Coeff-Com: -0.281D-01-0.835D-01 0.141D+00 0.964D+00
 Coeff:      0.136D-04-0.258D-03-0.209D-03 0.184D-02 0.420D-02 0.185D-02
 Coeff:     -0.281D-01-0.835D-01 0.141D+00 0.964D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=3.02D-07 MaxDP=1.37D-05 DE=-1.33D-09 OVMax= 1.07D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.49D-07    CP:  1.01D+00  1.20D+00  1.05D+00  1.23D+00  1.22D+00
                    CP:  1.38D+00  1.42D+00  1.35D+00  1.40D+00  1.16D+00
 E= -401.887316945283     Delta-E=       -0.000000000170 Rises=F Damp=F
 DIIS: error= 1.03D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.887316945283     IErMin=11 ErrMin= 1.03D-07
 ErrMax= 1.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-11 BMatP= 6.83D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-04-0.149D-03-0.164D-03 0.637D-03 0.180D-02 0.312D-02
 Coeff-Com: -0.220D-02-0.563D-01-0.439D-01 0.283D+00 0.814D+00
 Coeff:      0.131D-04-0.149D-03-0.164D-03 0.637D-03 0.180D-02 0.312D-02
 Coeff:     -0.220D-02-0.563D-01-0.439D-01 0.283D+00 0.814D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=9.00D-08 MaxDP=7.10D-06 DE=-1.70D-10 OVMax= 2.68D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.87D-08    CP:  1.01D+00  1.20D+00  1.05D+00  1.23D+00  1.22D+00
                    CP:  1.38D+00  1.42D+00  1.36D+00  1.45D+00  1.27D+00
                    CP:  1.12D+00
 E= -401.887316945288     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 3.71D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.887316945288     IErMin=12 ErrMin= 3.71D-08
 ErrMax= 3.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-12 BMatP= 1.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.225D-06 0.170D-04 0.894D-05-0.179D-03-0.388D-03 0.195D-03
 Coeff-Com:  0.413D-02 0.427D-02-0.293D-01-0.102D+00 0.140D+00 0.984D+00
 Coeff:     -0.225D-06 0.170D-04 0.894D-05-0.179D-03-0.388D-03 0.195D-03
 Coeff:      0.413D-02 0.427D-02-0.293D-01-0.102D+00 0.140D+00 0.984D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=3.41D-08 MaxDP=1.87D-06 DE=-4.66D-12 OVMax= 1.37D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.52D-08    CP:  1.01D+00  1.20D+00  1.05D+00  1.23D+00  1.22D+00
                    CP:  1.38D+00  1.42D+00  1.36D+00  1.46D+00  1.28D+00
                    CP:  1.25D+00  1.21D+00
 E= -401.887316945288     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 1.46D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.887316945288     IErMin=13 ErrMin= 1.46D-08
 ErrMax= 1.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-13 BMatP= 1.19D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.144D-05 0.173D-04 0.188D-04-0.800D-04-0.224D-03-0.323D-03
 Coeff-Com:  0.432D-03 0.639D-02 0.404D-02-0.343D-01-0.929D-01 0.291D-01
 Coeff-Com:  0.109D+01
 Coeff:     -0.144D-05 0.173D-04 0.188D-04-0.800D-04-0.224D-03-0.323D-03
 Coeff:      0.432D-03 0.639D-02 0.404D-02-0.343D-01-0.929D-01 0.291D-01
 Coeff:      0.109D+01
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=9.29D-09 MaxDP=2.79D-07 DE= 0.00D+00 OVMax= 6.77D-07

 SCF Done:  E(RM11) =  -401.887316945     A.U. after   13 cycles
            NFock= 13  Conv=0.93D-08     -V/T= 2.0114
 KE= 3.973437782743D+02 PE=-1.750346196543D+03 EE= 5.439898842584D+02
 Leave Link  502 at Sun Sep 26 19:33:27 2021, MaxMem=  6442450944 cpu:            1250.5 elap:             156.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.38436246D+02

 Leave Link  801 at Sun Sep 26 19:33:27 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.21D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.43D-01 3.94D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.37D-02 2.03D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.51D-03 7.05D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 7.90D-05 1.75D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 2.38D-06 2.75D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 8.33D-08 5.66D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.04D-09 6.14D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 4.10D-11 9.61D-07.
     11 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 7.71D-13 1.44D-07.
      5 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 1.28D-14 1.76D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.865798D+02
      2  0.184044D+01  0.793110D+02
      3 -0.136918D+01  0.174052D+01  0.714628D+02
 Isotropic polarizability for W=    0.088559       79.12 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.787806D+02 -0.170677D+02  0.745440D+01
      2  -0.350179D+02  0.121507D+02 -0.382725D+01
      3  -0.437627D+02  0.491700D+01 -0.362715D+01
      4  -0.242679D+02  0.600630D+02 -0.165300D+02
      5   0.865011D+01 -0.171439D+02  0.329062D+02
      6  -0.544403D+01 -0.148968D+01 -0.105981D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.131027D+01  0.745552D-01  0.164937D+01
      2   0.274716D+01 -0.492920D+01  0.233796D+02
      3   0.545522D+01 -0.361137D+02  0.547779D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.613894D+00  0.233757D+01  0.155151D+02
      2  -0.119571D+01 -0.110860D+02  0.766689D+02
      3  -0.720016D+01 -0.950808D+02  0.116999D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.120823D+00 -0.562697D+00 -0.736774D+00
      2  -0.562697D+00 -0.687732D+00  0.882035D+00
      3  -0.736774D+00  0.882035D+00 -0.194770D+00
 OR G Eigenvalues:    -1.3571    -0.6461     1.2415  Iso=     0.2539
 Eigenvectors:
   (1)   0.002831   0.797459  -0.603366
   (2)   0.770517   0.382857   0.509631
   (3)   0.637413  -0.466346  -0.613372
 w=    0.088559 a.u., Optical Rotation Beta=      0.2539 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      109.90 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 9.17D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.23D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.79D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 5.31D-02 3.62D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.64D-03 5.44D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.85D-05 5.60D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 4.66D-07 9.31D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 4.44D-09 7.87D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 4.08D-11 6.44D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 3.03D-13 6.81D-08.
      6 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 2.09D-15 5.42D-09.
      1 vectors produced by pass  9 Test12= 1.97D-14 2.78D-09 XBig12= 7.73D-16 2.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.46D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.46D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.23D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.865798D+02  0.184044D+01 -0.136918D+01
      2   0.184044D+01  0.793110D+02  0.174052D+01
      3  -0.136918D+01  0.174052D+01  0.714628D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.131027D+01  0.745552D-01  0.164937D+01
      2   0.274716D+01 -0.492920D+01  0.233796D+02
      3   0.545522D+01 -0.361137D+02  0.547779D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.787806D+02 -0.170677D+02  0.745440D+01
      2  -0.350179D+02  0.121507D+02 -0.382725D+01
      3  -0.437627D+02  0.491700D+01 -0.362715D+01
      4  -0.242679D+02  0.600630D+02 -0.165300D+02
      5   0.865011D+01 -0.171439D+02  0.329062D+02
      6  -0.544403D+01 -0.148968D+01 -0.105981D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.978054D+00  0.443768D+01 -0.372897D+01  0.376364D+01 -0.107308D+01
      2   0.443768D+01 -0.141391D+01  0.538823D+00 -0.107308D+01 -0.328990D+01
      3  -0.372897D+01  0.538823D+00 -0.288066D+00  0.352453D+00 -0.261767D+00
                 6             7             8             9            10 
      1   0.352453D+00 -0.402123D+01  0.441406D+00 -0.355118D+00  0.424716D+00
      2  -0.261767D+00  0.441406D+00 -0.758801D+00  0.346590D+01 -0.429846D+01
      3   0.279193D+01 -0.355118D+00  0.346590D+01  0.432762D+01  0.233264D+01
                11            12            13            14            15 
      1  -0.429846D+01  0.233264D+01 -0.619549D+01  0.172223D+01 -0.701484D-01
      2   0.203665D+01 -0.180120D+00  0.172223D+01  0.410594D+01 -0.876146D-01
      3  -0.180120D+00  0.822256D+00 -0.701484D-01 -0.876146D-01 -0.230823D+01
                16            17            18            19            20 
      1   0.488833D+01 -0.268364D+00  0.115898D+01 -0.175164D+01  0.521755D+01
      2  -0.268364D+00  0.664740D+00 -0.275629D+01  0.521755D+01 -0.479256D+00
      3   0.115898D+01 -0.275629D+01 -0.744310D+01 -0.106709D+01  0.144182D+00
                21            22            23            24            25 
      1  -0.106709D+01  0.405777D+01 -0.122920D+01  0.279552D+00 -0.438148D+01
      2   0.144182D+00 -0.122920D+01 -0.262469D+01 -0.178749D+00 -0.555893D-01
      3  -0.606375D+00  0.279552D+00 -0.178749D+00  0.130698D+01 -0.883216D+00
                26            27            28            29            30 
      1  -0.555893D-01 -0.883216D+00 -0.279379D+00 -0.226136D+01 -0.347637D+00
      2  -0.171142D+01  0.162130D+01 -0.226136D+01  0.117070D+01  0.844846D+00
      3   0.162130D+01  0.612184D+01 -0.347637D+00  0.844846D+00  0.167863D+01
                31            32            33            34            35 
      1  -0.165816D+01 -0.287215D+00  0.110583D+01 -0.270988D+01  0.626578D+00
      2  -0.287215D+00 -0.104435D+01  0.285621D+00  0.626578D+00 -0.114962D+00
      3   0.110583D+01  0.285621D+00 -0.330041D+00  0.218955D+01 -0.356016D+00
                36            37            38            39            40 
      1   0.218955D+01  0.471582D+01  0.180765D+01 -0.161758D+01  0.136120D+01
      2  -0.356016D+00  0.180765D+01  0.115407D+01 -0.266032D+00  0.799366D+00
      3  -0.397801D+01 -0.161758D+01 -0.266032D+00 -0.174925D+00 -0.622804D+00
                41            42            43            44            45 
      1   0.799366D+00 -0.622804D+00 -0.353475D+01 -0.138066D+01 -0.185172D+01
      2  -0.163363D+01 -0.167320D+01 -0.138066D+01 -0.249859D+01 -0.139758D+01
      3  -0.167320D+01 -0.551259D+00 -0.185172D+01 -0.139758D+01 -0.383715D+01
                46            47            48            49            50 
      1   0.246612D+00  0.343353D+01 -0.323044D+01  0.424763D+01 -0.172374D+01
      2   0.343353D+01 -0.101805D+01  0.343205D+00 -0.172374D+01 -0.561976D+01
      3  -0.323044D+01  0.343205D+00 -0.181085D+01  0.464546D+00 -0.407558D+00
                51            52            53            54            55 
      1   0.464546D+00 -0.501256D+01  0.293682D+00 -0.273471D+01  0.248734D+01
      2  -0.407558D+00  0.293682D+00 -0.554294D+00  0.238626D+01 -0.214842D+01
      3   0.250970D+01 -0.273471D+01  0.238626D+01  0.511223D+01  0.114597D+01
                56            57            58            59            60 
      1  -0.214842D+01  0.114597D+01 -0.957689D+00  0.243453D+01 -0.779219D+00
      2   0.328069D+01 -0.520705D+00  0.243453D+01  0.383250D+01  0.541022D+00
      3  -0.520705D+00  0.239022D+01 -0.779219D+00  0.541022D+00 -0.137599D+01
                61            62            63            64            65 
      1   0.174602D+01 -0.101890D+01  0.247311D+01 -0.523078D+01  0.768360D+00
      2  -0.101890D+01  0.605545D+00 -0.145821D+01  0.768360D+00 -0.175851D+01
      3   0.247311D+01 -0.145821D+01 -0.289242D+01  0.327079D+01 -0.691028D+00
                66            67            68            69            70 
      1   0.327079D+01  0.149718D+01 -0.132285D+01 -0.576633D+00  0.572932D+01
      2  -0.691028D+00 -0.132285D+01  0.204307D+01  0.202671D+01 -0.209789D-01
      3  -0.271691D+01 -0.576633D+00  0.202671D+01  0.773607D+00 -0.327980D+01
                71            72            73            74            75 
      1  -0.209789D-01 -0.327980D+01  0.567179D+00 -0.693269D+00 -0.103351D+01
      2   0.317794D+01  0.955929D+00 -0.693269D+00  0.358899D+00  0.281034D-01
      3   0.955929D+00  0.864962D+01 -0.103351D+01  0.281034D-01  0.836684D+00
                76            77            78            79            80 
      1  -0.969536D+00  0.236492D+00 -0.146309D-01 -0.126228D+01  0.998007D-01
      2   0.236492D+00  0.641572D-01 -0.106809D+01  0.998007D-01 -0.140577D+01
      3  -0.146309D-01 -0.106809D+01 -0.657666D+00  0.308103D+00 -0.293108D+00
                81            82            83            84            85 
      1   0.308103D+00 -0.178485D+00  0.976613D+00  0.850687D+00  0.115853D+01
      2  -0.293108D+00  0.976613D+00 -0.400014D+00  0.302191D-01 -0.287064D+00
      3  -0.736986D+01  0.850687D+00  0.302191D-01 -0.188151D+00  0.244790D-01
                86            87            88            89            90 
      1  -0.287064D+00  0.244790D-01  0.126743D+01 -0.188093D-01 -0.154724D-01
      2   0.362154D+00  0.141814D+01 -0.188093D-01  0.182982D+01  0.129073D+01
      3   0.141814D+01  0.144721D+01 -0.154724D-01  0.129073D+01  0.786235D+01
                91            92            93            94            95 
      1  -0.770942D+01 -0.338804D+01 -0.486679D+00 -0.274784D+01 -0.195198D+01
      2  -0.338804D+01 -0.255230D+01 -0.280862D+00 -0.195198D+01 -0.193795D+01
      3  -0.486679D+00 -0.280862D+00 -0.117712D+01 -0.994585D-01 -0.286697D+00
                96            97            98            99           100 
      1  -0.994585D-01  0.218767D+01  0.103907D+01 -0.696871D+00 -0.197661D+01
      2  -0.286697D+00  0.103907D+01  0.626870D+00 -0.352538D+00  0.246557D+01
      3  -0.554199D+00 -0.696871D+00 -0.352538D+00 -0.520213D-01 -0.129277D+01
               101           102           103           104           105 
      1   0.246557D+01 -0.129277D+01  0.193967D+01 -0.220178D+01  0.988975D+00
      2  -0.326206D+01  0.137083D+01 -0.220178D+01  0.443007D+01 -0.158250D+01
      3   0.137083D+01 -0.133463D+01  0.988975D+00 -0.158250D+01  0.133512D+01
               106           107           108           109           110 
      1  -0.197098D+01  0.153715D+01 -0.150786D+01 -0.232893D+00  0.784776D+00
      2   0.153715D+01 -0.298273D+01  0.201311D+01  0.784776D+00 -0.860791D+00
      3  -0.150786D+01  0.201311D+01 -0.213272D+01  0.339828D+00 -0.557532D+00
               111           112           113           114           115 
      1   0.339828D+00  0.677632D+00 -0.359232D+00 -0.465136D+00  0.127030D+01
      2  -0.557532D+00 -0.359232D+00  0.144948D+01  0.924150D+00 -0.461173D+00
      3  -0.860500D+00 -0.465136D+00  0.924150D+00  0.116814D+01 -0.924134D+00
               116           117           118           119           120 
      1  -0.461173D+00 -0.924134D+00  0.731272D+01 -0.175153D+01  0.244875D+01
      2   0.268016D+01  0.200740D+01 -0.175153D+01  0.132938D+01 -0.545623D+00
      3   0.200740D+01  0.463613D+01  0.244875D+01 -0.545623D+00  0.179428D+01
               121           122           123           124           125 
      1  -0.328233D+01  0.180816D+01 -0.702907D+00  0.429008D+01 -0.656754D+00
      2   0.180816D+01 -0.860341D+00  0.795882D+00 -0.656754D+00  0.105172D+01
      3  -0.702907D+00  0.795882D+00 -0.105874D+01  0.239848D+01 -0.935765D+00
               126           127           128           129           130 
      1   0.239848D+01  0.115772D+01 -0.546030D+00 -0.104416D+01 -0.129965D+01
      2  -0.935765D+00 -0.546030D+00  0.268519D+00  0.121649D+00  0.676198D+00
      3   0.174621D+01 -0.104416D+01  0.121649D+00  0.981550D+00  0.465699D+00
               131           132           133           134           135 
      1   0.676198D+00  0.465699D+00 -0.224896D+01  0.156316D+00  0.249930D+01
      2  -0.275080D+00 -0.114044D+01  0.156316D+00 -0.140753D+01 -0.992931D+00
      3  -0.114044D+01 -0.156613D+01  0.249930D+01 -0.992931D+00 -0.714581D+01
               136           137           138           139           140 
      1   0.546052D+00  0.130848D+01  0.342040D+00  0.254760D+01  0.206008D+01
      2   0.130848D+01  0.126015D+01 -0.490487D-01  0.206008D+01  0.785107D+01
      3   0.342040D+00 -0.490487D-01  0.298919D+00 -0.159320D+00 -0.406585D-01
               141           142           143           144           145 
      1  -0.159320D+00  0.632857D+00  0.821391D-02  0.724201D+00 -0.548530D+01
      2  -0.406585D-01  0.821391D-02  0.223643D+00  0.777956D+00 -0.203692D+01
      3   0.899845D+00  0.724201D+00  0.777956D+00 -0.411821D+00  0.174159D+01
               146           147           148           149           150 
      1  -0.203692D+01  0.174159D+01 -0.134998D+01 -0.183148D+01  0.647337D+00
      2  -0.281605D+01  0.863376D+00 -0.183148D+01 -0.184486D+01  0.929479D+00
      3   0.863376D+00 -0.137442D+01  0.647337D+00  0.929479D+00 -0.950372D+00
               151           152           153           154           155 
      1   0.188539D+01  0.791113D+00 -0.126789D+01 -0.198159D+00 -0.934541D+00
      2   0.791113D+00  0.154762D+01 -0.140422D+01 -0.934541D+00  0.215920D+00
      3  -0.126789D+01 -0.140422D+01  0.120948D+01 -0.625760D+00  0.345996D-01
               156           157           158           159           160 
      1  -0.625760D+00 -0.596387D+00  0.134699D+00  0.157626D-01 -0.102350D+01
      2   0.345996D-01  0.134699D+00 -0.169852D+01 -0.157876D+01  0.108625D+00
      3   0.117482D+00  0.157626D-01 -0.157876D+01 -0.162471D+01  0.193178D+00
               161           162           163           164           165 
      1   0.108625D+00  0.193178D+00  0.460646D+01 -0.314165D+01  0.200228D+01
      2  -0.309895D+01 -0.269585D+01 -0.314165D+01  0.348598D+01 -0.122888D+01
      3  -0.269585D+01 -0.603075D+01  0.200228D+01 -0.122888D+01  0.161193D+01
               166           167           168           169           170 
      1  -0.219379D+01  0.239587D+01 -0.854378D+00  0.226821D+01 -0.122073D+01
      2   0.239587D+01 -0.330939D+01  0.138502D+01 -0.122073D+01  0.212499D+01
      3  -0.854378D+00  0.138502D+01 -0.125520D+01  0.157190D+01 -0.187609D+01
               171 
      1   0.157190D+01
      2  -0.187609D+01
      3   0.162816D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.688337D+01  0.519625D+00 -0.922565D-01  0.114558D+00 -0.349611D+01
      2  -0.433918D+01 -0.135476D+00  0.244250D+01 -0.366958D+00  0.351825D+00
      3  -0.819355D+01 -0.127453D+02  0.768219D+01 -0.567332D+01  0.620956D+01
                 6             7             8             9            10 
      1   0.414466D+01 -0.588790D+00  0.113222D+02  0.972656D+01  0.259298D-01
      2   0.279751D+01 -0.138056D+01  0.359002D+01  0.475277D+01  0.407715D+01
      3  -0.479865D+00  0.831282D+01 -0.484145D+00 -0.363010D+01  0.581009D+01
                11            12            13            14            15 
      1   0.108209D+00  0.182774D+00 -0.430670D+00  0.223977D+01 -0.365332D+01
      2  -0.145920D+00  0.373830D+01 -0.103708D+01 -0.282253D+00 -0.318787D+01
      3  -0.452514D+01 -0.452387D+00  0.234665D+01 -0.660285D+01  0.446764D+00
                16            17            18            19            20 
      1   0.342807D-01  0.332459D+01 -0.280783D+01 -0.160020D+01 -0.131977D+01
      2  -0.313777D+01 -0.364066D+01 -0.949024D+01  0.231774D+01 -0.809476D+00
      3   0.172081D+01 -0.476465D+00  0.351838D+01  0.112160D+01 -0.421203D+01
                21            22            23            24            25 
      1  -0.191688D+00 -0.273592D+00  0.358999D+01 -0.133538D+01  0.377257D+00
      2   0.250708D+01  0.863488D+00 -0.236442D+01  0.111470D+01 -0.757006D+01
      3   0.988490D+00  0.244461D+01 -0.340185D+01  0.142364D+01 -0.357092D+01
                26            27            28            29            30 
      1   0.412704D+01 -0.363253D+01  0.360446D+00  0.251709D+01  0.206459D+01
      2   0.274076D+00  0.171865D+00 -0.595928D+01  0.778300D+00 -0.196268D+01
      3   0.140178D+01 -0.696651D+00 -0.100666D+02  0.473477D+01 -0.175419D+01
                31            32            33            34            35 
      1  -0.100613D+00 -0.602275D+01 -0.563788D+01  0.209800D+01 -0.265687D+01
      2   0.356908D+01  0.241172D+01 -0.161701D+01 -0.269020D+01 -0.784642D+00
      3   0.141801D+02  0.769871D+01 -0.250233D+01 -0.711857D+01 -0.708674D+01
                36            37            38            39            40 
      1   0.476300D+01 -0.222109D+01  0.387444D+00 -0.806160D+00 -0.778911D+00
      2   0.934207D+01  0.641091D+01  0.219662D+01  0.192364D+01 -0.100860D+01
      3  -0.167465D+01  0.187086D+01 -0.994889D+00  0.735911D+00  0.210979D+01
                41            42            43            44            45 
      1   0.172529D+01 -0.233222D+01  0.226367D+01  0.522439D+01 -0.262137D+01
      2   0.309942D+01  0.137319D+01 -0.556150D+01  0.954095D+00  0.745322D+01
      3  -0.496862D+01 -0.258516D+01  0.262137D+01 -0.150847D+01 -0.167991D+01
                46            47            48            49            50 
      1   0.503227D+00  0.610452D+00  0.189469D+00  0.147906D+01  0.204582D+01
      2  -0.104840D+02  0.140578D+01 -0.427249D+01  0.226400D+01 -0.145574D+01
      3  -0.879510D+01  0.221092D+01 -0.199801D+01  0.112082D+02  0.180310D+02
                51            52            53            54            55 
      1  -0.297899D+01  0.112983D+01  0.119831D+01 -0.218601D+01 -0.148356D+01
      2   0.705479D+01 -0.130215D+02  0.658111D+01  0.140120D+02  0.146501D+01
      3   0.324428D+00 -0.342728D+01  0.139374D+01 -0.791922D+01  0.660289D+01
                56            57            58            59            60 
      1   0.223491D+01 -0.721589D+01  0.165545D+01 -0.381324D+01 -0.998024D+00
      2   0.611181D+00  0.423881D+01  0.374012D+00  0.166018D+01  0.567491D-01
      3  -0.108558D+02  0.238085D+01  0.235012D+01  0.630012D+01 -0.198004D+01
                61            62            63            64            65 
      1  -0.678821D+01  0.876980D+01  0.696263D+01 -0.754853D-01 -0.390443D+01
      2  -0.106062D+01  0.213176D+00 -0.864717D+00  0.583121D+00  0.127886D+01
      3   0.295213D+01 -0.219504D+01  0.729015D+01  0.209489D+01 -0.722898D+01
                66            67            68            69            70 
      1   0.235474D+00 -0.217501D+00  0.152351D+01 -0.105775D+01 -0.110578D+01
      2   0.797622D+01  0.187538D+00 -0.486029D+01 -0.131491D+01 -0.315171D+01
      3  -0.322664D+00 -0.213686D+01  0.445025D+00  0.445707D+01  0.415079D+01
                71            72            73            74            75 
      1   0.728751D+01 -0.806866D+00  0.103125D+01 -0.436624D+00 -0.281387D-01
      2  -0.220295D+01 -0.159477D+02  0.565592D+00 -0.287956D+00  0.160007D+00
      3   0.703135D+01  0.256471D+01  0.122286D+00 -0.814503D+00 -0.662256D+00
                76            77            78            79            80 
      1  -0.887193D-01  0.793745D+00  0.371747D-01 -0.224733D+00  0.373155D+01
      2  -0.751359D+00  0.180171D+00 -0.286810D+00 -0.350093D+01  0.129207D+00
      3   0.128904D+01  0.146611D+00 -0.118828D+00  0.653229D-01  0.177427D+00
                81            82            83            84            85 
      1   0.381616D+01  0.110931D+01 -0.559574D+00 -0.668972D-01 -0.274010D+00
      2   0.458237D+00  0.125079D+01 -0.551671D+00 -0.539722D-01 -0.136641D+01
      3  -0.408759D+00 -0.124643D+01 -0.597526D+00 -0.121033D+00  0.143578D+01
                86            87            88            89            90 
      1   0.115065D+01 -0.694688D-01 -0.421839D+00  0.410998D+01  0.211691D+01
      2   0.218736D+01  0.185801D+01 -0.405208D+01  0.210975D+01  0.988982D+01
      3  -0.489111D+00 -0.161712D+01  0.259248D+00 -0.204000D+01 -0.154980D+01
                91            92            93            94            95 
      1   0.293196D+01  0.195888D+01 -0.111604D+01  0.169481D+01  0.147133D+01
      2  -0.559093D+01 -0.268460D+01  0.300669D+01 -0.263342D+01 -0.140257D+01
      3   0.227260D+00 -0.390897D+01 -0.506150D+00 -0.697102D+00 -0.270111D+01
                96            97            98            99           100 
      1  -0.522972D+00 -0.115188D+01 -0.283917D+00  0.623909D+00  0.249919D+01
      2   0.145365D+01  0.218142D+01  0.115676D+01 -0.137084D+01 -0.166568D+01
      3   0.342632D+00  0.346236D+00  0.124268D+01 -0.388924D+00 -0.572625D+01
               101           102           103           104           105 
      1  -0.238325D+01  0.400535D+01 -0.218132D+01  0.239357D+01 -0.358040D+01
      2   0.405309D+00  0.444885D+00  0.667200D+00 -0.442838D+00 -0.183757D+00
      3   0.472157D+01 -0.328070D+01  0.665376D+01 -0.496973D+01  0.270289D+01
               106           107           108           109           110 
      1   0.344183D+01 -0.279391D+01  0.434827D+01 -0.965909D+00  0.111131D+01
      2  -0.158073D+01  0.298618D+00 -0.392108D-01  0.597612D+00 -0.829802D-02
      3  -0.570047D+01  0.368445D+01 -0.401353D+01 -0.964306D+00  0.632970D+00
               111           112           113           114           115 
      1   0.307921D+01  0.106411D+01 -0.276784D+01 -0.340340D+01  0.300063D+01
      2  -0.206320D+00  0.254418D+00  0.165248D+00 -0.228393D-01 -0.235988D+01
      3   0.798847D+00  0.176276D+01 -0.141592D+01 -0.130108D+01  0.367972D+01
               116           117           118           119           120 
      1  -0.338033D+01 -0.121605D+02 -0.298828D+00  0.487354D+00  0.259119D+00
      2   0.254677D+00  0.902008D+00  0.738539D+01 -0.207183D+01  0.760247D+01
      3  -0.150499D+01 -0.336767D+01  0.615150D+01 -0.667447D+01  0.259392D+01
               121           122           123           124           125 
      1  -0.113023D+00 -0.490921D+00 -0.668890D+00 -0.203254D+00  0.143841D+01
      2  -0.212175D+01  0.243434D+01 -0.417488D+01  0.589497D+01 -0.304313D+01
      3  -0.463518D+01  0.360996D+01 -0.235968D+01  0.269734D+01 -0.422783D+01
               126           127           128           129           130 
      1   0.683125D-01  0.466658D+00 -0.295667D+00 -0.490711D+00 -0.104842D+00
      2   0.598866D+01 -0.262873D+01  0.186965D+00  0.367374D+01  0.315593D+00
      3   0.343823D+01  0.182760D+01 -0.180387D+01 -0.713405D+00 -0.110346D+01
               131           132           133           134           135 
      1   0.953929D+00 -0.101975D+00 -0.619749D+00  0.349258D+01  0.205711D+01
      2  -0.291548D+01 -0.446320D+01  0.326820D+01 -0.305602D+01 -0.201615D+02
      3   0.991470D+00  0.295614D+01 -0.491380D+00  0.462766D+01  0.399924D+01
               136           137           138           139           140 
      1  -0.342433D+00 -0.353661D+00 -0.559838D+00 -0.216283D+00 -0.169092D+01
      2   0.105243D+01 -0.303725D-03  0.133114D+01 -0.690842D-01  0.346108D+00
      3  -0.353333D+01 -0.293893D+01  0.264341D+00 -0.727827D+00 -0.234968D+02
               141           142           143           144           145 
      1  -0.241942D+01 -0.605056D+00  0.601010D+00  0.236843D+00  0.321038D+01
      2   0.315156D+01  0.572575D+00  0.201432D+01 -0.112298D+01  0.494121D+01
      3  -0.285702D-01  0.406016D+00 -0.580913D+00 -0.136007D+01  0.167250D+02
               146           147           148           149           150 
      1  -0.937852D-01 -0.355381D+01  0.437528D+00  0.112727D+01 -0.253017D+01
      2   0.108045D+01 -0.275467D+00  0.979372D+00  0.166799D+01 -0.351065D+00
      3   0.451254D+01 -0.472916D+01  0.613132D+01  0.488614D+01 -0.241721D+01
               151           152           153           154           155 
      1  -0.280661D+01 -0.964480D+00  0.195441D+01 -0.153837D+01  0.138165D+00
      2  -0.346124D+01 -0.136873D+01  0.102722D+01 -0.932046D+00  0.210389D+00
      3  -0.539546D+01 -0.233873D+01  0.405197D+01  0.199620D+01  0.648027D+00
               156           157           158           159           160 
      1   0.235494D-01  0.165094D+00 -0.315032D+01 -0.519394D+01  0.275916D+00
      2   0.638992D+00 -0.240289D+00 -0.159140D+01 -0.142566D+01 -0.238620D+01
      3   0.116166D+01  0.227442D+01  0.144708D+01  0.154067D+01  0.288541D+01
               161           162           163           164           165 
      1  -0.326652D+01 -0.144620D+02  0.327089D+01 -0.726695D+00  0.408190D+01
      2  -0.261871D+01 -0.617555D+01  0.263027D+00 -0.586215D+00  0.282665D+01
      3   0.332245D+01  0.280141D+01 -0.694727D+01  0.176970D+00 -0.293612D+01
               166           167           168           169           170 
      1  -0.114126D+01  0.154514D+01 -0.343782D+01  0.281711D+01 -0.161876D+01
      2   0.120259D+00  0.810623D+00 -0.183217D+01 -0.293996D+00 -0.178715D+01
      3   0.407899D+01 -0.793561D+00  0.506691D+00 -0.439313D+01 -0.438196D+00
               171 
      1   0.287287D+01
      2   0.186387D+01
      3  -0.974802D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.935425D+01  0.826633D+01 -0.770426D+01  0.624282D+01 -0.116955D+02
      2  -0.133687D+02 -0.865073D+00  0.311574D+01 -0.350500D+00  0.162594D+02
      3   0.401447D+01 -0.740125D+01  0.458852D+01 -0.589232D+01 -0.456384D+01
      4   0.681297D+01 -0.197486D+02  0.149389D+02 -0.167331D+02 -0.122831D+01
      5  -0.724416D+01  0.758793D+01 -0.523077D+01  0.541552D+01 -0.179883D+01
      6   0.184046D+02 -0.264357D+01  0.113333D+01 -0.198195D+01  0.276444D+01
                 6             7             8             9            10 
      1   0.108842D+01 -0.869570D+01  0.185660D+01  0.697772D+01 -0.122211D+02
      2   0.611048D+00  0.281156D+01  0.127097D+01 -0.101843D+02  0.914772D+01
      3  -0.169947D+01  0.588414D+01 -0.312757D+01  0.320657D+01  0.307341D+01
      4  -0.228355D+01  0.142829D+02 -0.414794D+01  0.809215D+01 -0.100973D+02
      5   0.639663D+01 -0.560366D+01  0.795801D+01  0.901545D+01  0.874323D+01
      6  -0.119743D+02  0.179992D+01 -0.163889D+02 -0.161850D+02 -0.327400D+01
                11            12            13            14            15 
      1  -0.111664D+02  0.677124D+01 -0.130278D+02  0.123939D+02  0.218464D+01
      2   0.538999D+01 -0.519953D+01  0.720075D+01 -0.122270D+02  0.138715D+01
      3   0.577642D+01 -0.157171D+01  0.582703D+01 -0.166868D+00 -0.357179D+01
      4   0.627739D+01 -0.989735D+00  0.684742D+01  0.778680D+01  0.597263D-01
      5  -0.504424D+00  0.175103D+01 -0.938356D+00  0.213195D+00 -0.673500D+01
      6   0.758183D+00 -0.595702D+00  0.113199D+01 -0.428487D+00  0.379572D+00
                16            17            18            19            20 
      1   0.112230D+02  0.148265D+01  0.738827D+01 -0.123743D+02 -0.387706D+01
      2  -0.527340D+01  0.286618D+01  0.685566D+01  0.106609D+02  0.457780D+01
      3  -0.594964D+01 -0.434883D+01 -0.142439D+02  0.171340D+01 -0.700745D+00
      4  -0.180428D+01  0.408421D+00 -0.643986D+01 -0.557787D+00  0.307899D+00
      5   0.643534D+01 -0.654412D+01 -0.177831D+02 -0.371048D+01 -0.359302D+00
      6  -0.741067D+00  0.401500D+01 -0.160197D+01 -0.609149D+00 -0.175000D+01
                21            22            23            24            25 
      1  -0.130480D+01  0.359333D+01  0.588500D+01  0.155396D+01 -0.282168D+01
      2  -0.552316D+00 -0.383188D+01 -0.149859D+02  0.186596D+01 -0.926512D+00
      3   0.185712D+01  0.238552D+00  0.910094D+01 -0.341992D+01  0.374820D+01
      4   0.154270D+00 -0.994438D+01 -0.304908D+01 -0.359473D+00  0.283553D+01
      5   0.140674D+01  0.778003D+00 -0.429254D+00  0.191529D+01 -0.896486D-01
      6   0.489628D+00 -0.695148D-01  0.714689D+00 -0.160350D+01  0.105796D+01
                26            27            28            29            30 
      1   0.456446D+01  0.518185D+01 -0.114728D+01  0.539247D+01 -0.108522D+01
      2  -0.300838D+01  0.944142D+01  0.578146D+01 -0.313616D+01 -0.379176D+01
      3  -0.155608D+01 -0.146233D+02 -0.463418D+01 -0.225632D+01  0.487698D+01
      4  -0.140683D+01  0.595123D+00  0.471876D+01 -0.275851D+01 -0.600072D+01
      5   0.157749D+01  0.206931D+01  0.559583D+01 -0.488577D+01 -0.158775D+02
      6   0.254039D+01  0.504951D+01 -0.253687D+01  0.855142D+00 -0.323719D+01
                31            32            33            34            35 
      1   0.814833D+01  0.174441D+01 -0.259298D+01  0.979433D+01 -0.626045D+00
      2  -0.486925D+01 -0.105997D+00  0.484729D+01 -0.563792D+01 -0.541563D+01
      3  -0.327908D+01 -0.163841D+01 -0.225431D+01 -0.415641D+01  0.604168D+01
      4   0.340561D+01 -0.395563D+01 -0.651499D+00 -0.962328D+01  0.505391D+01
      5  -0.106567D+02  0.765823D+00 -0.462738D+01 -0.209846D+02 -0.520013D+00
      6  -0.123081D+01 -0.632060D+01  0.863924D+00 -0.268450D+01 -0.646467D+01
                36            37            38            39            40 
      1  -0.485886D+01 -0.151969D+02 -0.837320D+01  0.708810D+01 -0.108649D+02
      2   0.997725D+01  0.162948D+01  0.276176D+01 -0.509069D+01  0.362108D+01
      3  -0.511839D+01  0.135674D+02  0.561144D+01 -0.199741D+01  0.724379D+01
      4   0.145523D+01 -0.130619D+02 -0.276326D+01  0.339822D+01  0.162442D+01
      5   0.169863D+02  0.731317D+01  0.105480D+01  0.998752D+01  0.436911D+01
      6  -0.198619D+01  0.186756D+01  0.234635D+01  0.151888D+01  0.302692D+01
                41            42            43            44            45 
      1  -0.116544D+02 -0.230454D+01  0.132748D+02  0.115563D+01 -0.326890D+01
      2   0.127306D+02  0.132755D+01 -0.935279D+01  0.507064D+00 -0.887291D+01
      3  -0.107618D+01  0.976985D+00 -0.392205D+01 -0.166269D+01  0.121418D+02
      4   0.739384D+01  0.756271D+01  0.109867D+02  0.950801D+01  0.472694D+01
      5   0.685691D+01  0.529651D+01  0.172745D+02  0.757677D+01  0.204541D+02
      6   0.723341D+01  0.827146D+01  0.414934D+01  0.105358D+02  0.806807D+01
                46            47            48            49            50 
      1  -0.669312D+00  0.201400D+02 -0.203398D+02  0.230959D+02 -0.661696D+01
      2  -0.185134D+00 -0.124319D+02  0.101273D+02 -0.155358D+02 -0.220060D+01
      3   0.854446D+00 -0.770813D+01  0.102125D+02 -0.756011D+01  0.881756D+01
      4   0.198579D+02 -0.559855D+01  0.197682D+01 -0.957519D+01 -0.262277D+02
      5  -0.220669D+02  0.278844D+01 -0.110226D+02  0.343488D+01 -0.398275D+01
      6   0.205301D+00  0.143172D+00  0.902170D+00 -0.646542D+00 -0.215198D+00
                51            52            53            54            55 
      1   0.502347D+01 -0.266915D+02  0.384115D+01 -0.894014D+01  0.149411D+02
      2  -0.470462D+00  0.115924D+02 -0.138598D+00  0.129744D+02 -0.124906D+02
      3  -0.455301D+01  0.150992D+02 -0.370255D+01 -0.403429D+01 -0.245045D+01
      4  -0.232308D+01  0.281974D+01 -0.151095D+01  0.125924D+02  0.717210D+01
      5   0.144371D+02 -0.176916D+02  0.133761D+02  0.256651D+02 -0.102143D+01
      6   0.710932D+00  0.133839D+01 -0.102339D+01 -0.138795D+01  0.574417D+01
                56            57            58            59            60 
      1  -0.781218D+01  0.924324D+00 -0.689161D+01 -0.142714D+02 -0.938745D+00
      2   0.130088D+02 -0.151520D+01  0.126676D+02  0.275807D+02  0.212234D+01
      3  -0.519664D+01  0.590876D+00 -0.577603D+01 -0.133093D+02 -0.118359D+01
      4  -0.436735D+01  0.442269D+01  0.432288D+01  0.141586D+02 -0.280649D+01
      5   0.185040D+01  0.169892D+01  0.171368D+01 -0.195104D+01  0.180500D+01
      6  -0.452368D+01  0.124495D+02 -0.447955D+01  0.368109D+01 -0.107554D+01
                61            62            63            64            65 
      1   0.262783D+01  0.555133D+00  0.383554D+01  0.265452D+02 -0.202305D+01
      2  -0.237803D+01  0.263473D+01 -0.638975D+01 -0.190784D+02 -0.691108D+00
      3  -0.249797D+00 -0.318987D+01  0.255421D+01 -0.746682D+01  0.271416D+01
      4   0.444719D+01 -0.321819D+01  0.105689D+02 -0.719184D+01  0.112709D+02
      5   0.332049D+01  0.350438D+01 -0.151648D+01 -0.202003D+02  0.481163D+01
      6   0.131110D+02 -0.459168D+01 -0.118051D+02  0.159157D+01 -0.341936D+01
                66            67            68            69            70 
      1  -0.898301D+01 -0.574917D+01 -0.138119D+01  0.537136D+00 -0.139608D+02
      2   0.114398D+02  0.402331D+01  0.371538D+01 -0.893835D+00  0.143288D+02
      3  -0.245680D+01  0.172585D+01 -0.233419D+01  0.356699D+00 -0.368002D+00
      4   0.529960D+01  0.107688D+02 -0.592296D+01 -0.861574D+01  0.434021D+01
      5   0.230602D+02  0.421119D+01 -0.100030D+02 -0.265628D+01  0.260505D+02
      6   0.197940D-01 -0.334510D+01  0.244349D+01  0.819856D+01 -0.182336D+01
                71            72            73            74            75 
      1  -0.244647D+01 -0.326982D+01  0.857953D+00  0.106617D+00  0.838307D+00
      2   0.415359D+01 -0.203880D+02 -0.411123D+01  0.534144D-01  0.930453D+00
      3  -0.170712D+01  0.236579D+02  0.325328D+01 -0.160032D+00 -0.176876D+01
      4  -0.105671D+02 -0.737233D+01  0.299248D+00  0.130658D+01 -0.592544D+00
      5  -0.468740D+01 -0.396318D+02 -0.119771D+01  0.213278D+00  0.517168D+01
      6   0.929941D+01  0.364154D+00 -0.804585D+00 -0.620286D+00  0.374241D+00
                76            77            78            79            80 
      1   0.383373D+00 -0.351243D+01 -0.583127D+00  0.363391D+00  0.773471D+00
      2   0.784196D-01  0.605669D+00 -0.196116D+01  0.121904D+01 -0.280093D+01
      3  -0.461793D+00  0.290676D+01  0.254428D+01 -0.158243D+01  0.202746D+01
      4   0.163300D+01 -0.991807D-01 -0.342163D+00 -0.574401D+00 -0.731138D-01
      5   0.205415D+00 -0.720011D+00 -0.643204D+00  0.412392D+01  0.107744D+00
      6  -0.213454D+00  0.213660D+00  0.511259D+01  0.336450D-01  0.382113D+01
                81            82            83            84            85 
      1  -0.153708D+02  0.146634D+01  0.230482D+01  0.259225D+01  0.282165D+01
      2  -0.145334D+02 -0.414248D+01 -0.104132D+01 -0.790227D+00 -0.162634D+01
      3   0.299042D+02  0.267613D+01 -0.126350D+01 -0.180203D+01 -0.119531D+01
      4   0.736883D+00  0.208692D+01  0.650046D+00  0.519478D+00  0.101512D+01
      5  -0.165624D+01  0.164179D+01  0.746775D+00  0.506496D+01  0.466935D+00
      6  -0.553760D+01  0.776114D+00 -0.240359D+00 -0.335300D+00  0.134558D+00
                86            87            88            89            90 
      1  -0.523461D+01 -0.237122D+01  0.346286D+01 -0.165422D+01 -0.158507D+02
      2   0.132229D+01 -0.170519D+01 -0.206714D+01 -0.311558D+01 -0.147493D+02
      3   0.391233D+01  0.407641D+01 -0.139572D+01  0.476979D+01  0.306000D+02
      4   0.753808D+00  0.312032D+01  0.679619D+00  0.345084D+01  0.352643D+01
      5   0.349008D+01  0.343606D+01  0.361024D+01  0.317257D+01  0.181713D+02
      6   0.286892D+01  0.679491D+01  0.131680D+00  0.441948D+01  0.282973D+01
                91            92            93            94            95 
      1   0.393044D+02  0.145414D+02  0.750761D+00  0.921267D+01  0.635012D+01
      2  -0.164501D+02 -0.436651D+01 -0.131879D+01 -0.150500D+01  0.627086D+00
      3  -0.228544D+02 -0.101749D+02  0.568025D+00 -0.770767D+01 -0.697721D+01
      4   0.230741D+02  0.144863D+02  0.146816D+01  0.137526D+02  0.112124D+02
      5   0.731431D+01  0.328412D+01  0.567744D+01  0.225576D+01  0.214635D+01
      6   0.152437D+01  0.168203D+01  0.165092D+01  0.127455D+01  0.118200D+01
                96            97            98            99           100 
      1   0.587258D+00 -0.105621D+02 -0.434038D+01  0.254545D+01 -0.272399D+01
      2  -0.792520D+00  0.314033D+01  0.568815D+00 -0.112971D+01  0.738968D+01
      3   0.205262D+00  0.742180D+01  0.377156D+01 -0.141575D+01 -0.466569D+01
      4   0.658907D+00 -0.718937D+01 -0.458519D+01  0.277296D+01 -0.100336D+02
      5   0.253836D+01  0.398748D+01  0.179070D+01 -0.187237D+00  0.367879D+01
      6   0.167855D+01  0.208745D+01  0.164211D+01 -0.401953D+00 -0.742476D+01
               101           102           103           104           105 
      1   0.767914D+01 -0.296681D+01  0.510346D+01 -0.120898D+02  0.455880D+01
      2  -0.139927D+02  0.439419D+01 -0.954050D+01  0.204751D+02 -0.712829D+01
      3   0.631354D+01 -0.142739D+01  0.443703D+01 -0.838531D+01  0.256949D+01
      4   0.138402D+02 -0.668743D+01  0.109961D+02 -0.113697D+02  0.501518D+01
      5  -0.365642D+01  0.397877D+01 -0.192943D+01  0.299671D+01 -0.175813D+01
      6   0.901634D+01 -0.807499D+01  0.647379D+01 -0.106955D+02  0.864153D+01
               106           107           108           109           110 
      1  -0.377733D+01  0.797791D+01 -0.667858D+01 -0.183855D+01  0.250281D+01
      2   0.437822D+01 -0.991138D+01  0.528522D+01  0.247652D+01 -0.396367D+01
      3  -0.600887D+00  0.193346D+01  0.139335D+01 -0.637969D+00  0.146086D+01
      4  -0.771889D+01  0.723106D+01 -0.679218D+01 -0.118407D+01  0.451273D+01
      5   0.375772D+01 -0.319446D+01  0.362576D+01 -0.110747D+01  0.603396D+00
      6  -0.830750D+01  0.125361D+02 -0.113337D+02  0.141864D+01 -0.341421D+01
               111           112           113           114           115 
      1   0.152478D+01  0.903463D+00 -0.485866D+01 -0.289572D+01  0.109355D+01
      2  -0.205438D+01 -0.162054D+01  0.688296D+01  0.418665D+01 -0.140637D+01
      3   0.529605D+00  0.717078D+00 -0.202430D+01 -0.129093D+01  0.312823D+00
      4   0.145399D+01  0.384594D+01 -0.210272D+01 -0.203369D+01  0.413927D+01
      5   0.203875D+01  0.198389D+00 -0.835141D+00 -0.852599D+00  0.172544D+01
      6  -0.480488D+01 -0.248624D+01  0.509840D+01  0.772187D+01 -0.474959D+01
               116           117           118           119           120 
      1  -0.836170D+01 -0.893109D+01  0.545614D+02 -0.114379D+02  0.166978D+02
      2   0.100218D+02  0.415683D+01 -0.292595D+02  0.567994D+01 -0.962215D+01
      3  -0.166005D+01  0.477427D+01 -0.253019D+02  0.575798D+01 -0.707561D+01
      4  -0.277580D+01 -0.334208D+01 -0.118803D+02  0.105956D+02 -0.366639D+01
      5  -0.911420D+00 -0.172834D+01  0.195379D+02 -0.422464D+01  0.146329D+02
      6   0.111981D+02  0.217596D+02 -0.223062D+00  0.606674D+00 -0.346682D+00
               121           122           123           124           125 
      1  -0.199323D+02  0.888688D+01 -0.419988D+01  0.251393D+02 -0.353002D+01
      2   0.102512D+02 -0.253783D+01  0.199247D+01 -0.149970D+02  0.179137D+01
      3   0.968114D+01 -0.634905D+01  0.220740D+01 -0.101423D+02  0.173865D+01
      4   0.134652D+02 -0.732089D+01  0.541248D+01 -0.465725D+01  0.681413D+01
      5  -0.597979D+01  0.569163D+01 -0.761450D+01  0.193795D+02 -0.633069D+01
      6   0.138106D+01 -0.156005D+01  0.190870D+01 -0.892968D+00  0.216522D+01
               126           127           128           129           130 
      1   0.118746D+02  0.716349D+01 -0.340301D+01 -0.576991D+01 -0.689550D+01
      2  -0.104448D+02 -0.649426D+01  0.232638D+01  0.484198D+01  0.450980D+01
      3  -0.142982D+01 -0.669228D+00  0.107663D+01  0.927932D+00  0.238569D+01
      4  -0.556561D+01 -0.335192D+01  0.271199D+01  0.110912D+01  0.488640D+01
      5   0.139187D+02 -0.713517D+01  0.136441D+01  0.109866D+02  0.358767D+01
      6  -0.103379D+01  0.847269D+00 -0.175908D+00 -0.958836D-01 -0.175206D+01
               131           132           133           134           135 
      1   0.402578D+00 -0.188501D+00 -0.105013D+02 -0.116069D+01  0.966181D+00
      2  -0.468402D+00 -0.211540D+01  0.101108D+02 -0.966095D+00 -0.174533D+02
      3   0.658246D-01  0.230390D+01  0.390427D+00  0.212678D+01  0.164871D+02
      4  -0.188635D+01 -0.641866D+01  0.121870D+01 -0.779821D+01 -0.629791D+01
      5  -0.604497D+01 -0.876590D+01  0.190710D+02 -0.605925D+01 -0.403913D+02
      6   0.249563D+01  0.463350D+01 -0.982991D+00  0.477419D+01  0.210728D+01
               136           137           138           139           140 
      1   0.353057D+01  0.537142D+01  0.222368D+01  0.125631D+02  0.117669D+01
      2   0.120321D+01 -0.251203D+00 -0.117193D+01 -0.359438D+01  0.135673D+02
      3  -0.473378D+01 -0.512022D+01 -0.105175D+01 -0.896875D+01 -0.147440D+02
      4   0.732024D+01  0.117985D+02 -0.321313D+00  0.164670D+02  0.409074D+02
      5   0.199601D+01 -0.532204D+00  0.253937D+01 -0.116231D+01  0.120419D+01
      6  -0.313077D+00 -0.567538D+00  0.771082D+00  0.200444D-01 -0.939131D+00
               141           142           143           144           145 
      1  -0.918796D+00  0.376776D+01 -0.561708D+00  0.933280D+00 -0.746055D+01
      2   0.780302D+00 -0.176710D+01  0.504414D+00 -0.927608D+00  0.763353D+01
      3   0.138494D+00 -0.200066D+01  0.572940D-01 -0.567167D-02 -0.172974D+00
      4   0.122342D+00  0.177408D-02  0.842768D+00  0.382651D+01  0.160450D+02
      5   0.569922D+01  0.522780D+01  0.444591D+01 -0.217675D+01 -0.315250D+01
      6   0.413231D+01  0.135921D+01  0.509737D+01  0.456427D+00 -0.890212D+01
               146           147           148           149           150 
      1  -0.117261D+02  0.560371D+01 -0.787161D+01 -0.888397D+01  0.400777D+01
      2   0.141045D+02 -0.317144D+01  0.980926D+01  0.119472D+02 -0.448740D+01
      3  -0.237842D+01 -0.243227D+01 -0.193764D+01 -0.306319D+01  0.479634D+00
      4   0.783934D+01 -0.615172D+01  0.772166D+01  0.577888D+01 -0.213746D+01
      5  -0.197563D+01  0.260733D+01 -0.124879D+01 -0.982081D+00  0.185811D-02
      6  -0.625700D+01  0.748126D+01 -0.471401D+01 -0.612747D+01  0.647964D+01
               151           152           153           154           155 
      1   0.582294D+01  0.606581D+01 -0.735954D+01 -0.112597D+01 -0.221325D+01
      2  -0.284636D+01 -0.631711D+01  0.353028D+01  0.160290D+01  0.753006D+00
      3  -0.297658D+01  0.251299D+00  0.382926D+01 -0.476929D+00  0.146024D+01
      4  -0.659690D+01 -0.152778D+01  0.281139D+01 -0.164590D+01  0.564275D+01
      5   0.325058D+01 -0.484714D+00 -0.207221D+01 -0.143756D+01  0.590174D+00
      6   0.632249D+01  0.863904D+01 -0.617712D+01  0.238741D+01  0.308619D-01
               156           157           158           159           160 
      1  -0.152488D+01 -0.106363D+01 -0.647982D+01 -0.566200D+01 -0.217013D+01
      2   0.824337D+00  0.230109D-01  0.899663D+01  0.747645D+01  0.105137D+01
      3   0.700544D+00  0.104062D+01 -0.251681D+01 -0.181445D+01  0.111876D+01
      4   0.246429D+01  0.426249D+01 -0.370811D+01 -0.288692D+01  0.432691D+01
      5   0.393660D+01 -0.213610D-01 -0.301451D+01 -0.318350D+01  0.435228D+01
      6  -0.330386D+00 -0.151756D+00  0.905627D+01  0.118649D+02 -0.109638D+01
               161           162           163           164           165 
      1  -0.969792D+01 -0.111159D+02  0.124730D+02 -0.181896D+01  0.283818D+01
      2   0.122104D+02  0.405839D+01  0.335155D+00 -0.914301D+01 -0.482575D+00
      3  -0.251251D+01  0.705753D+01 -0.128081D+02  0.109620D+02 -0.235561D+01
      4  -0.609459D+01 -0.578794D+01 -0.265422D+02  0.233069D+02 -0.110552D+02
      5  -0.574946D+01 -0.124516D+02  0.110836D+02 -0.701643D+01  0.905482D+01
      6   0.155919D+02  0.274884D+02 -0.106793D+02  0.817316D+01 -0.896979D+01
               166           167           168           169           170 
      1  -0.998640D+00 -0.303473D+01  0.195371D+01  0.352357D+01  0.294598D+01
      2  -0.725630D+01  0.135635D+02 -0.472226D+01 -0.106715D+01 -0.601596D+01
      3   0.825494D+01 -0.105287D+02  0.276855D+01 -0.245643D+01  0.306997D+01
      4   0.178179D+02 -0.192805D+02  0.753787D+01 -0.119142D+02  0.103966D+02
      5  -0.469977D+01  0.639668D+01 -0.468949D+01  0.938265D+01 -0.718768D+01
      6   0.625892D+01 -0.972505D+01  0.872321D+01 -0.827228D+01  0.115044D+02
               171 
      1  -0.170041D+01
      2   0.115172D+01
      3   0.548692D+00
      4  -0.101070D+02
      5   0.831979D+01
      6  -0.893223D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:00:07 2021, MaxMem=  6442450944 cpu:           12793.2 elap:            1599.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52317 -19.46831 -14.60748 -10.58650 -10.48546
 Alpha  occ. eigenvalues --  -10.45076 -10.43132 -10.42274  -1.25257  -1.15096
 Alpha  occ. eigenvalues --   -1.03521  -0.93441  -0.84322  -0.81460  -0.75062
 Alpha  occ. eigenvalues --   -0.69225  -0.64854  -0.62065  -0.60976  -0.60160
 Alpha  occ. eigenvalues --   -0.57866  -0.54306  -0.54085  -0.50810  -0.50320
 Alpha  occ. eigenvalues --   -0.49424  -0.46155  -0.44581  -0.44268  -0.43447
 Alpha  occ. eigenvalues --   -0.41461  -0.36329
 Alpha virt. eigenvalues --    0.03245   0.06384   0.06690   0.07025   0.07605
 Alpha virt. eigenvalues --    0.08907   0.10761   0.10891   0.12003   0.12165
 Alpha virt. eigenvalues --    0.14711   0.15391   0.15887   0.17361   0.17934
 Alpha virt. eigenvalues --    0.18162   0.19506   0.20636   0.20879   0.21441
 Alpha virt. eigenvalues --    0.22425   0.23555   0.24732   0.25239   0.25823
 Alpha virt. eigenvalues --    0.26962   0.28320   0.28812   0.29453   0.29805
 Alpha virt. eigenvalues --    0.31133   0.32018   0.33026   0.33873   0.34734
 Alpha virt. eigenvalues --    0.35204   0.35461   0.35888   0.36563   0.37167
 Alpha virt. eigenvalues --    0.37673   0.38093   0.39291   0.39434   0.40305
 Alpha virt. eigenvalues --    0.40732   0.41425   0.41747   0.41975   0.42746
 Alpha virt. eigenvalues --    0.43236   0.44148   0.44618   0.44979   0.45763
 Alpha virt. eigenvalues --    0.46288   0.46994   0.47542   0.48153   0.49401
 Alpha virt. eigenvalues --    0.50758   0.50984   0.51921   0.52314   0.52707
 Alpha virt. eigenvalues --    0.53651   0.54168   0.54901   0.55231   0.55766
 Alpha virt. eigenvalues --    0.56661   0.57836   0.58608   0.59254   0.59636
 Alpha virt. eigenvalues --    0.60466   0.62103   0.62551   0.63625   0.63768
 Alpha virt. eigenvalues --    0.64671   0.64879   0.65877   0.66615   0.67436
 Alpha virt. eigenvalues --    0.68166   0.68575   0.70071   0.70391   0.72768
 Alpha virt. eigenvalues --    0.73427   0.75303   0.76450   0.77389   0.77705
 Alpha virt. eigenvalues --    0.79176   0.79978   0.81368   0.81461   0.82847
 Alpha virt. eigenvalues --    0.84787   0.86179   0.87615   0.89219   0.91803
 Alpha virt. eigenvalues --    0.93157   0.95840   0.99706   1.00324   1.03850
 Alpha virt. eigenvalues --    1.05750   1.06991   1.07448   1.08800   1.10549
 Alpha virt. eigenvalues --    1.10919   1.12372   1.13018   1.13571   1.14781
 Alpha virt. eigenvalues --    1.17406   1.17698   1.21726   1.23457   1.25828
 Alpha virt. eigenvalues --    1.27738   1.29552   1.34237   1.35369   1.37823
 Alpha virt. eigenvalues --    1.38785   1.42491   1.44083   1.44809   1.46198
 Alpha virt. eigenvalues --    1.49145   1.50697   1.54054   1.56650   1.59231
 Alpha virt. eigenvalues --    1.62880   1.64644   1.66929   1.69791   1.72234
 Alpha virt. eigenvalues --    1.72894   1.74963   1.76587   1.80031   1.80389
 Alpha virt. eigenvalues --    1.84041   1.87023   1.89114   1.89695   1.92748
 Alpha virt. eigenvalues --    1.93919   1.95117   1.96569   1.96748   1.99514
 Alpha virt. eigenvalues --    2.01531   2.01887   2.03971   2.05661   2.07798
 Alpha virt. eigenvalues --    2.09226   2.10954   2.12242   2.15008   2.15557
 Alpha virt. eigenvalues --    2.16807   2.19494   2.21434   2.22338   2.23498
 Alpha virt. eigenvalues --    2.24768   2.25346   2.26924   2.29517   2.31651
 Alpha virt. eigenvalues --    2.34635   2.36220   2.37542   2.43658   2.44966
 Alpha virt. eigenvalues --    2.45585   2.48992   2.50482   2.52342   2.54003
 Alpha virt. eigenvalues --    2.61932   2.64758   2.68188   2.71398   2.73530
 Alpha virt. eigenvalues --    2.75336   2.76529   2.78307   2.86311   2.94350
 Alpha virt. eigenvalues --    2.95876   2.96629   3.00849   3.05664   3.06492
 Alpha virt. eigenvalues --    3.07465   3.10807   3.12093   3.14562   3.17519
 Alpha virt. eigenvalues --    3.22106   3.24816   3.27632   3.29922   3.32504
 Alpha virt. eigenvalues --    3.34276   3.44372   3.49475   3.68032   3.69735
 Alpha virt. eigenvalues --    3.88290   4.00181
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.340569   0.365089  -0.056605  -0.066391  -0.000090  -0.031299
     2  C    0.365089   5.766279   0.424824  -0.054595  -0.019462   0.355162
     3  C   -0.056605   0.424824   5.841113   0.043145  -0.147176  -0.069808
     4  C   -0.066391  -0.054595   0.043145   5.272204   0.143732   0.032360
     5  O   -0.000090  -0.019462  -0.147176   0.143732   8.131069   0.001028
     6  C   -0.031299   0.355162  -0.069808   0.032360   0.001028   4.327600
     7  N    0.032959  -0.293850  -0.027131  -0.133380   0.036367  -0.008914
     8  O    0.006807  -0.071818  -0.122539   0.597831   0.008101   0.004407
     9  H    0.007914  -0.008843   0.099300  -0.041705  -0.070065  -0.016768
    10  H   -0.059498   0.332631   0.116070  -0.060623   0.003712  -0.091462
    11  H   -0.001269   0.001469   0.032778   0.078294   0.185865  -0.000241
    12  H   -0.002890   0.057450   0.143814   0.056830  -0.006757  -0.001721
    13  H    0.001342   0.030560   0.184466  -0.044532  -0.009980   0.001601
    14  H   -0.004010   0.106871   0.009000  -0.002675   0.000384   0.203077
    15  H   -0.015217   0.125245   0.019203  -0.000794   0.000514   0.145275
    16  H    0.003195   0.011470  -0.046808   0.007808   0.000045   0.389304
    17  H    0.337791  -0.000905  -0.093144   0.011289  -0.004986   0.022231
    18  H    0.153569   0.140506   0.006635   0.022763  -0.013316  -0.020480
    19  H    0.229746   0.089551   0.016317   0.005171  -0.001926  -0.018801
               7          8          9         10         11         12
     1  C    0.032959   0.006807   0.007914  -0.059498  -0.001269  -0.002890
     2  C   -0.293850  -0.071818  -0.008843   0.332631   0.001469   0.057450
     3  C   -0.027131  -0.122539   0.099300   0.116070   0.032778   0.143814
     4  C   -0.133380   0.597831  -0.041705  -0.060623   0.078294   0.056830
     5  O    0.036367   0.008101  -0.070065   0.003712   0.185865  -0.006757
     6  C   -0.008914   0.004407  -0.016768  -0.091462  -0.000241  -0.001721
     7  N    7.625229   0.044895   0.101213  -0.042616  -0.002160  -0.199696
     8  O    0.044895   7.829135  -0.030785  -0.021417  -0.028079  -0.016123
     9  H    0.101213  -0.030785   1.029372   0.005706   0.001152  -0.055426
    10  H   -0.042616  -0.021417   0.005706   1.071097   0.000166   0.006686
    11  H   -0.002160  -0.028079   0.001152   0.000166   0.512517   0.000473
    12  H   -0.199696  -0.016123  -0.055426   0.006686   0.000473   0.894572
    13  H   -0.112845  -0.036037   0.015656  -0.035532   0.001171  -0.003076
    14  H    0.008157   0.000230   0.006573  -0.012574  -0.000007  -0.000889
    15  H    0.010333   0.001031  -0.038111   0.002000   0.000026  -0.000332
    16  H   -0.050328   0.000712  -0.005711   0.001950  -0.000014   0.008560
    17  H    0.006505   0.016644   0.002478  -0.054181  -0.002141  -0.000772
    18  H   -0.002682  -0.006496  -0.010101   0.007369   0.000598   0.000230
    19  H    0.001843  -0.000469   0.006507   0.026012  -0.000053  -0.000115
              13         14         15         16         17         18
     1  C    0.001342  -0.004010  -0.015217   0.003195   0.337791   0.153569
     2  C    0.030560   0.106871   0.125245   0.011470  -0.000905   0.140506
     3  C    0.184466   0.009000   0.019203  -0.046808  -0.093144   0.006635
     4  C   -0.044532  -0.002675  -0.000794   0.007808   0.011289   0.022763
     5  O   -0.009980   0.000384   0.000514   0.000045  -0.004986  -0.013316
     6  C    0.001601   0.203077   0.145275   0.389304   0.022231  -0.020480
     7  N   -0.112845   0.008157   0.010333  -0.050328   0.006505  -0.002682
     8  O   -0.036037   0.000230   0.001031   0.000712   0.016644  -0.006496
     9  H    0.015656   0.006573  -0.038111  -0.005711   0.002478  -0.010101
    10  H   -0.035532  -0.012574   0.002000   0.001950  -0.054181   0.007369
    11  H    0.001171  -0.000007   0.000026  -0.000014  -0.002141   0.000598
    12  H   -0.003076  -0.000889  -0.000332   0.008560  -0.000772   0.000230
    13  H    0.889207   0.001793  -0.001231  -0.003309   0.000631  -0.000491
    14  H    0.001793   0.809615  -0.016464  -0.080901   0.008417  -0.023367
    15  H   -0.001231  -0.016464   0.803856  -0.100651   0.000962   0.010247
    16  H   -0.003309  -0.080901  -0.100651   0.815529  -0.001887   0.001469
    17  H    0.000631   0.008417   0.000962  -0.001887   0.856880  -0.071861
    18  H   -0.000491  -0.023367   0.010247   0.001469  -0.071861   0.723512
    19  H   -0.000260   0.018141  -0.023817   0.002486  -0.074674  -0.021984
              19
     1  C    0.229746
     2  C    0.089551
     3  C    0.016317
     4  C    0.005171
     5  O   -0.001926
     6  C   -0.018801
     7  N    0.001843
     8  O   -0.000469
     9  H    0.006507
    10  H    0.026012
    11  H   -0.000053
    12  H   -0.000115
    13  H   -0.000260
    14  H    0.018141
    15  H   -0.023817
    16  H    0.002486
    17  H   -0.074674
    18  H   -0.021984
    19  H    0.781147
 Mulliken charges:
               1
     1  C    0.758290
     2  C   -1.357635
     3  C   -0.373452
     4  C    0.133268
     5  O   -0.237057
     6  C    0.777451
     7  N    0.006103
     8  O   -0.176030
     9  H    0.001644
    10  H   -0.195496
    11  H    0.219456
    12  H    0.119180
    13  H    0.120865
    14  H   -0.031372
    15  H    0.077926
    16  H    0.047078
    17  H    0.040722
    18  H    0.103881
    19  H   -0.034821
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.868071
     2  C   -1.553131
     3  C   -0.371808
     4  C    0.133268
     5  O   -0.017602
     6  C    0.871083
     7  N    0.246148
     8  O   -0.176030
 Electronic spatial extent (au):  <R**2>=           1058.7771
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.3331    Y=             -0.7461    Z=             -1.1098  Tot=              1.3782
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.5542   YY=            -48.5980   ZZ=            -52.3425
   XY=             -0.3680   XZ=              4.3099   YZ=             -1.0104
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.2774   YY=              1.2336   ZZ=             -2.5109
   XY=             -0.3680   XZ=              4.3099   YZ=             -1.0104
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -28.8062  YYY=              3.0640  ZZZ=             -2.5884  XYY=            -17.2929
  XXY=            -13.5599  XXZ=             -7.9922  XZZ=              3.6361  YZZ=              3.5684
  YYZ=              1.4285  XYZ=              2.4815
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -723.5605 YYYY=           -420.4400 ZZZZ=           -171.1738 XXXY=             39.1049
 XXXZ=             33.9761 YYYX=            -10.7387 YYYZ=              3.1547 ZZZX=              3.3530
 ZZZY=              2.0279 XXYY=           -187.9866 XXZZ=           -171.3814 YYZZ=            -93.1315
 XXYZ=             -0.4478 YYXZ=              6.5828 ZZXY=             -1.9727
 N-N= 4.071252170652D+02 E-N=-1.750346196893D+03  KE= 3.973437782743D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:00:08 2021, MaxMem=  6442450944 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.56034518D-01-2.39542537D-01-4.12141700D-01
 Polarizability= 8.26560838D+01 2.25054482D+00 7.56861279D+01
                -8.72644630D-01 1.77830684D+00 6.74213435D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6899    0.6846        0.9226    0.9202
 2     -0.6899   -0.6846       -0.8721   -0.8703       -3.6292   -3.6344
 3     -0.9226   -0.9202        7.5516    7.5585        0.8699    0.8703
 4      0.8721    0.8703        0.0000    0.0000       -0.9262   -0.9202
 5     -3.9224   -3.9241        0.9262    0.9202        0.6890    0.6846
 6     -0.8699   -0.8703       -0.6890   -0.6846        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.0538   -2.0538        2.7607    2.7607
 2      2.6108    2.6108       -0.0000    0.0000        2.7607    2.7607
 3      2.6108    2.6108       -2.0538   -2.0538       -0.0000    0.0000
 4     -2.0538   -2.0538       -2.6108   -2.6108      -10.9032  -10.9032
 5     -2.7607   -2.7607       22.6755   22.6755        2.6108    2.6108
 6    -11.7723  -11.7723        2.7607    2.7607        2.0538    2.0538
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2369    0.0000       -2.3375   -2.7384       -3.6582   -3.6809
 2      2.7971    2.7384        3.6107    3.4810       14.5431   14.5376
 3      3.9433    3.6809      -30.2837  -30.2340       -3.3079   -3.4810
 4     -3.5184   -3.4810        0.0398    0.0000        3.8615    3.6809
 5     15.8539   15.6964       -3.7561   -3.6809       -2.8230   -2.7384
 6      3.2193    3.4810        2.8337    2.7384       -0.0557    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3640    0.0000        7.3647    7.1046       -3.0666   -2.8217
 2     -7.0303   -7.1046      -11.5486  -12.7341        7.1351    7.2379
 3      2.4304    2.8217       14.5403   13.5761       13.0497   12.7341
 4     12.8835   12.7341       -0.2921    0.0000        2.5380    2.8217
 5    -21.2167  -20.8140       -3.1395   -2.8217        7.4675    7.1046
 6    -12.5552  -12.7341       -7.1619   -7.1046        0.5785    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.1226    8.7449       13.0227   13.6698       10.4099   10.1398
 2     27.2615   27.1568       21.4245   21.9847        9.5838   10.1398
 3     27.6314   27.1568       12.7044   13.6698       11.1424   11.2817
 4     -8.7155   -8.3150      -17.4449  -18.4119       21.0780   20.9442
 5      0.3869    1.1419       25.8514   24.6275       18.9071   18.4119
 6    -46.1638  -45.5717       -1.4730   -1.1419        8.4316    8.3150
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.3794    0.0006    0.0008    0.0011    2.6017    8.7131
 Low frequencies ---   54.4810   70.6690  171.4385
 Diagonal vibrational polarizability:
       17.2776292      27.3926327      20.6055847
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     54.4795                70.6665               171.4385
 Red. masses --      6.5147                 3.0470                 3.8911
 Frc consts  --      0.0114                 0.0090                 0.0674
 IR Inten    --      1.6994                 0.3316                 0.0549
 RamAct Fr= 1--      1.0597                 0.2129                 0.4027
  Dep-P Fr= 1--      0.7492                 0.7494                 0.5613
  Dep-U Fr= 1--      0.8566                 0.8567                 0.7190
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0014
 Beta2  Fr= 1--      0.1513                 0.0304                 0.0483
 AlphaG Fr= 1--      0.0001                -0.0001                -0.0007
 Gamma2 Fr= 1--      0.1975                -0.0016                 0.0591
 Delta2 Fr= 1--      0.2153                 0.0538                 0.0246
 Raman1 Fr= 1--       4.239                  0.852                  1.611
 ROA1   Fr= 1--      25.848                  1.571                  6.457
 CID1   Fr= 1--       6.098                  1.844                  4.009
 Raman2 Fr= 1--       1.816                  0.365                  0.579
 ROA2   Fr= 1--       3.016                 -0.467                  1.221
 CID2   Fr= 1--       1.661                 -1.281                  2.108
 Raman3 Fr= 1--       3.631                  0.730                  1.158
 ROA3   Fr= 1--      25.848                  1.571                  6.457
 CID3   Fr= 1--       7.119                  2.152                  5.575
 RC180  Fr= 1--       0.713                  0.713                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.01   0.06    -0.07   0.05   0.23     0.26  -0.07   0.07
     2   6    -0.00   0.02   0.05     0.03   0.05   0.01     0.09  -0.05   0.02
     3   6     0.01  -0.09  -0.06     0.01   0.04   0.03     0.01  -0.13   0.07
     4   6     0.01  -0.04   0.01     0.02  -0.02  -0.03    -0.07   0.00   0.01
     5   8    -0.24   0.28  -0.12     0.04   0.07  -0.12    -0.13   0.10  -0.05
     6   6     0.02   0.06   0.15    -0.00  -0.08  -0.20     0.01   0.08  -0.11
     7   7    -0.04  -0.04  -0.24    -0.03   0.03   0.10     0.01  -0.12   0.07
     8   8     0.21  -0.24   0.15     0.01  -0.14  -0.01    -0.16   0.13  -0.06
     9   1     0.02  -0.20  -0.04     0.03   0.10   0.02    -0.00  -0.12   0.07
    10   1    -0.11   0.04   0.04     0.16   0.20  -0.02     0.15  -0.04   0.03
    11   1    -0.24   0.32  -0.08     0.04   0.02  -0.16    -0.23   0.28  -0.14
    12   1    -0.07  -0.14  -0.29    -0.02   0.05   0.11     0.01  -0.12   0.07
    13   1     0.01   0.07  -0.25    -0.05  -0.02   0.10    -0.00  -0.13   0.07
    14   1    -0.01   0.09   0.22     0.05   0.01  -0.20     0.11   0.12  -0.23
    15   1     0.11   0.07   0.17    -0.11  -0.28  -0.16    -0.10   0.14  -0.14
    16   1    -0.02   0.07   0.16     0.03  -0.08  -0.41    -0.07   0.09  -0.08
    17   1     0.00   0.00  -0.05    -0.02   0.17   0.41     0.24  -0.14  -0.02
    18   1     0.20  -0.01   0.07    -0.22  -0.10   0.27     0.42  -0.11   0.09
    19   1    -0.00   0.04   0.18    -0.03   0.07   0.19     0.26   0.04   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    219.4436               235.8345               252.0576
 Red. masses --      1.0871                 1.2515                 1.2267
 Frc consts  --      0.0308                 0.0410                 0.0459
 IR Inten    --      0.5629                 1.6516                31.6835
 RamAct Fr= 1--      0.1203                 0.0477                 0.2559
  Dep-P Fr= 1--      0.7497                 0.6420                 0.7468
  Dep-U Fr= 1--      0.8570                 0.7820                 0.8550
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0172                 0.0062                 0.0365
 AlphaG Fr= 1--     -0.0000                -0.0011                 0.0002
 Gamma2 Fr= 1--      0.0319                 0.0404                -0.0083
 Delta2 Fr= 1--      0.0191                 0.0241                -0.0427
 Raman1 Fr= 1--       0.481                  0.191                  1.024
 ROA1   Fr= 1--       3.676                  4.646                 -2.164
 CID1   Fr= 1--       7.636                 24.338                 -2.114
 Raman2 Fr= 1--       0.206                  0.075                  0.438
 ROA2   Fr= 1--       0.613                  0.775                  0.142
 CID2   Fr= 1--       2.971                 10.385                  0.324
 Raman3 Fr= 1--       0.412                  0.149                  0.875
 ROA3   Fr= 1--       3.676                  4.646                 -2.164
 CID3   Fr= 1--       8.911                 31.123                 -2.473
 RC180  Fr= 1--       0.714                  0.564                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.03     0.01  -0.00   0.03    -0.00   0.01   0.00
     2   6    -0.00   0.01   0.01    -0.03   0.01  -0.05    -0.01   0.01  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.03  -0.06    -0.02  -0.00  -0.00
     4   6    -0.00  -0.00   0.01     0.00   0.01  -0.03    -0.02  -0.00   0.02
     5   8     0.03  -0.00  -0.01    -0.03  -0.03   0.01     0.01  -0.00  -0.01
     6   6    -0.01  -0.00  -0.02    -0.01  -0.01  -0.00    -0.00   0.02   0.01
     7   7     0.02   0.01  -0.03     0.01   0.00   0.06     0.08  -0.01  -0.06
     8   8    -0.02  -0.03   0.01     0.06   0.01  -0.01    -0.06  -0.03   0.01
     9   1    -0.01  -0.02   0.02    -0.03   0.09  -0.07    -0.05  -0.04  -0.00
    10   1     0.02   0.01   0.02    -0.08   0.04  -0.06    -0.02   0.01  -0.00
    11   1     0.03  -0.03  -0.02     0.00  -0.04   0.07     0.01  -0.03  -0.03
    12   1    -0.01  -0.00  -0.02    -0.08   0.06   0.20    -0.40  -0.03   0.41
    13   1     0.07   0.05  -0.03     0.13  -0.11   0.12     0.76  -0.03   0.15
    14   1     0.01  -0.42  -0.38    -0.04   0.07   0.10    -0.02   0.06   0.05
    15   1    -0.26   0.46  -0.19     0.07  -0.12   0.04     0.03  -0.02   0.03
    16   1     0.20  -0.04   0.45    -0.04  -0.01  -0.10    -0.02   0.02  -0.04
    17   1    -0.10   0.04  -0.12    -0.21   0.03  -0.39     0.05   0.01   0.09
    18   1     0.15  -0.02   0.04     0.54  -0.11   0.07    -0.10   0.02   0.00
    19   1    -0.11   0.01   0.18    -0.23   0.07   0.50     0.05   0.02  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    274.4847               302.1049               357.1657
 Red. masses --      2.1703                 2.6574                 2.8159
 Frc consts  --      0.0963                 0.1429                 0.2116
 IR Inten    --      4.3383                 6.4600                 7.8051
 RamAct Fr= 1--      0.3607                 0.5440                 1.1368
  Dep-P Fr= 1--      0.3679                 0.5253                 0.1515
  Dep-U Fr= 1--      0.5379                 0.6888                 0.2632
 Alpha2 Fr= 1--      0.0030                 0.0024                 0.0175
 Beta2  Fr= 1--      0.0323                 0.0624                 0.0499
 AlphaG Fr= 1--      0.0019                -0.0037                -0.0013
 Gamma2 Fr= 1--      0.0087                 0.2267                -0.2093
 Delta2 Fr= 1--     -0.0416                 0.0412                 0.0057
 Raman1 Fr= 1--       1.443                  2.176                  4.547
 ROA1   Fr= 1--      -0.501                 23.086                -19.909
 CID1   Fr= 1--      -0.347                 10.610                 -4.378
 Raman2 Fr= 1--       0.388                  0.749                  0.598
 ROA2   Fr= 1--       0.541                  5.112                 -5.068
 CID2   Fr= 1--       1.394                  6.822                 -8.469
 Raman3 Fr= 1--       0.776                  1.499                  1.197
 ROA3   Fr= 1--      -0.501                 23.086                -19.909
 CID3   Fr= 1--      -0.646                 15.404                -16.635
 RC180  Fr= 1--       0.076                  0.378                 -0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.07    -0.01  -0.07   0.05    -0.11  -0.07  -0.01
     2   6    -0.00   0.01  -0.05    -0.10  -0.05  -0.00    -0.00  -0.07   0.09
     3   6     0.01  -0.02  -0.10    -0.03   0.01  -0.03     0.05  -0.08   0.06
     4   6     0.02  -0.02  -0.10    -0.02   0.03  -0.03     0.10   0.00   0.02
     5   8    -0.11  -0.04   0.01     0.02  -0.02  -0.01     0.13   0.06  -0.03
     6   6     0.02   0.04   0.04    -0.19   0.15  -0.02    -0.12   0.09  -0.04
     7   7    -0.05  -0.05   0.10     0.23  -0.02   0.03    -0.13  -0.06  -0.03
     8   8     0.14   0.07  -0.06     0.04  -0.05   0.02     0.11   0.10  -0.00
     9   1     0.06   0.08  -0.11    -0.01   0.02  -0.03     0.11  -0.13   0.07
    10   1    -0.06   0.06  -0.06    -0.14  -0.04  -0.01     0.02  -0.12   0.10
    11   1    -0.09   0.04   0.12     0.08  -0.14   0.05     0.06   0.12  -0.16
    12   1    -0.19   0.00   0.29     0.57   0.17  -0.16    -0.44  -0.24   0.14
    13   1     0.04  -0.26   0.17    -0.00   0.03  -0.05     0.06  -0.10   0.04
    14   1    -0.01  -0.17  -0.08    -0.07   0.29  -0.06     0.06   0.29  -0.14
    15   1    -0.00   0.32  -0.04    -0.18   0.20  -0.04    -0.21   0.09  -0.06
    16   1     0.09   0.02   0.33    -0.40   0.17  -0.01    -0.35   0.12  -0.12
    17   1     0.14   0.04   0.41     0.06  -0.10   0.17    -0.20   0.00  -0.14
    18   1    -0.37  -0.08   0.09    -0.09  -0.12   0.07    -0.03  -0.00  -0.03
    19   1     0.15   0.03  -0.17     0.08   0.02  -0.00    -0.22  -0.19   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    378.0153               429.9850               522.2306
 Red. masses --      2.6320                 2.6335                 3.5705
 Frc consts  --      0.2216                 0.2869                 0.5737
 IR Inten    --      4.3133                 2.3900                15.7536
 RamAct Fr= 1--      1.1742                 0.8524                 4.0013
  Dep-P Fr= 1--      0.6909                 0.0482                 0.1321
  Dep-U Fr= 1--      0.8172                 0.0919                 0.2334
 Alpha2 Fr= 1--      0.0012                 0.0169                 0.0647
 Beta2  Fr= 1--      0.1599                 0.0131                 0.1556
 AlphaG Fr= 1--      0.0021                -0.0032                -0.0010
 Gamma2 Fr= 1--      0.0596                 0.0083                 0.1380
 Delta2 Fr= 1--      0.1536                 0.0231                 0.1721
 Raman1 Fr= 1--       4.697                  3.410                 16.005
 ROA1   Fr= 1--      10.640                  1.538                 18.753
 CID1   Fr= 1--       2.265                  0.451                  1.172
 Raman2 Fr= 1--       1.919                  0.157                  1.867
 ROA2   Fr= 1--       0.203                  0.015                  1.935
 CID2   Fr= 1--       0.106                  0.094                  1.036
 Raman3 Fr= 1--       3.838                  0.313                  3.735
 ROA3   Fr= 1--      10.640                  1.538                 18.753
 CID3   Fr= 1--       2.772                  4.908                  5.021
 RC180  Fr= 1--       0.634                 -0.816                 -0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18  -0.10   0.02     0.04   0.12  -0.06    -0.01  -0.20   0.03
     2   6    -0.12  -0.04  -0.00    -0.04   0.08   0.22     0.09  -0.13   0.06
     3   6    -0.07   0.07  -0.03     0.04  -0.00   0.06     0.08   0.13   0.09
     4   6     0.00   0.08  -0.01     0.01  -0.04  -0.08     0.01   0.02  -0.09
     5   8     0.09   0.05  -0.02    -0.10  -0.07  -0.00    -0.13  -0.06   0.04
     6   6    -0.11  -0.14   0.02    -0.10  -0.08  -0.03     0.04   0.04  -0.02
     7   7    -0.09   0.09  -0.03     0.05   0.00   0.01    -0.03   0.25  -0.05
     8   8     0.05   0.03   0.03     0.08   0.00  -0.06    -0.01  -0.07  -0.08
     9   1    -0.06   0.08  -0.03     0.25  -0.07   0.09     0.20   0.18   0.09
    10   1    -0.16  -0.05  -0.00    -0.02   0.07   0.22     0.17  -0.24   0.09
    11   1     0.15  -0.12  -0.03    -0.09   0.03   0.12    -0.03   0.00   0.34
    12   1    -0.22   0.03   0.06     0.02  -0.00   0.04    -0.25   0.03  -0.01
    13   1    -0.00   0.06   0.01     0.13   0.03   0.02     0.11   0.36  -0.03
    14   1    -0.16  -0.25   0.00    -0.01  -0.11  -0.18     0.19   0.21  -0.09
    15   1    -0.16  -0.14   0.02    -0.42  -0.25  -0.02     0.02   0.12  -0.04
    16   1     0.03  -0.15   0.04     0.05  -0.08  -0.23    -0.19   0.06  -0.01
    17   1     0.36  -0.38   0.16     0.05  -0.09  -0.22    -0.04  -0.11   0.04
    18   1     0.16  -0.12   0.03     0.12   0.45  -0.16    -0.02  -0.26   0.04
    19   1     0.42   0.19  -0.09     0.07   0.04  -0.19    -0.05  -0.23   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    622.2897               663.4607               762.4376
 Red. masses --      1.2548                 3.5789                 3.4654
 Frc consts  --      0.2863                 0.9282                 1.1869
 IR Inten    --     82.6469                19.5534                36.7627
 RamAct Fr= 1--      0.4522                 5.4793                 4.2270
  Dep-P Fr= 1--      0.3003                 0.1216                 0.1649
  Dep-U Fr= 1--      0.4619                 0.2168                 0.2832
 Alpha2 Fr= 1--      0.0046                 0.0910                 0.0629
 Beta2  Fr= 1--      0.0348                 0.1980                 0.1995
 AlphaG Fr= 1--     -0.0304                 0.0097                 0.0603
 Gamma2 Fr= 1--     -0.1531                -0.7683                -0.1298
 Delta2 Fr= 1--     -0.1472                -0.2876                 0.5574
 Raman1 Fr= 1--       1.809                 21.917                 16.908
 ROA1   Fr= 1--     -19.406                -82.964                  5.374
 CID1   Fr= 1--     -10.729                 -3.785                  0.318
 Raman2 Fr= 1--       0.418                  2.376                  2.394
 ROA2   Fr= 1--      -2.496                -16.139                 -7.575
 CID2   Fr= 1--      -5.975                 -6.793                 -3.164
 Raman3 Fr= 1--       0.835                  4.752                  4.788
 ROA3   Fr= 1--     -19.406                -82.964                  5.374
 CID3   Fr= 1--     -23.228                -17.460                  1.122
 RC180  Fr= 1--      -0.076                 -0.566                 -0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.03  -0.00     0.01  -0.07   0.03
     2   6    -0.03   0.01  -0.04    -0.02   0.01  -0.00     0.05  -0.02   0.14
     3   6     0.02   0.02  -0.01     0.13  -0.02  -0.13    -0.05   0.01  -0.14
     4   6     0.06  -0.06   0.03     0.15   0.09  -0.03    -0.19   0.27  -0.12
     5   8     0.03  -0.04   0.04     0.03   0.14   0.20     0.07  -0.07   0.04
     6   6    -0.04  -0.01   0.01    -0.07  -0.01   0.01     0.11   0.03  -0.01
     7   7     0.01   0.04   0.00    -0.01  -0.06   0.01    -0.02  -0.04  -0.01
     8   8    -0.01  -0.02  -0.02    -0.14  -0.14  -0.12     0.01  -0.07   0.09
     9   1    -0.02   0.06  -0.02     0.13  -0.05  -0.13     0.07  -0.05  -0.12
    10   1    -0.05   0.00  -0.04    -0.13   0.07  -0.03    -0.04   0.08   0.10
    11   1    -0.44   0.80  -0.32     0.22   0.15   0.66    -0.26   0.39  -0.33
    12   1     0.02   0.04  -0.01    -0.14  -0.12   0.08    -0.03   0.09   0.11
    13   1     0.02   0.06  -0.00    -0.22  -0.34   0.01    -0.10  -0.30   0.02
    14   1    -0.06  -0.02   0.03    -0.03  -0.01  -0.04     0.25   0.07  -0.17
    15   1    -0.02  -0.00   0.01    -0.14  -0.03   0.01    -0.09  -0.01  -0.03
    16   1    -0.03  -0.01   0.02    -0.07  -0.01  -0.01     0.09   0.04  -0.10
    17   1     0.03  -0.03   0.03     0.02  -0.01  -0.01    -0.05  -0.07  -0.11
    18   1     0.01  -0.06   0.02     0.01   0.06  -0.01    -0.03   0.20  -0.06
    19   1     0.04   0.08   0.02     0.03   0.05  -0.02    -0.04  -0.30  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    832.6382               856.8530               912.1157
 Red. masses --      2.6529                 1.9549                 2.0885
 Frc consts  --      1.0837                 0.8456                 1.0237
 IR Inten    --     66.2397                56.0529                34.1272
 RamAct Fr= 1--      6.4117                 3.9446                 2.3179
  Dep-P Fr= 1--      0.0733                 0.1965                 0.7017
  Dep-U Fr= 1--      0.1365                 0.3285                 0.8247
 Alpha2 Fr= 1--      0.1198                 0.0541                 0.0019
 Beta2  Fr= 1--      0.1459                 0.2159                 0.3186
 AlphaG Fr= 1--      0.0022                -0.0326                 0.0096
 Gamma2 Fr= 1--     -0.6752                 0.5805                 0.0569
 Delta2 Fr= 1--     -0.1942                 0.3668                -0.2644
 Raman1 Fr= 1--      25.647                 15.778                  9.271
 ROA1   Fr= 1--     -71.034                 67.470                 -2.999
 CID1   Fr= 1--      -2.770                  4.276                 -0.323
 Raman2 Fr= 1--       1.751                  2.591                  3.823
 ROA2   Fr= 1--     -14.652                 10.999                  3.481
 CID2   Fr= 1--      -8.368                  4.244                  0.910
 Raman3 Fr= 1--       3.502                  5.183                  7.646
 ROA3   Fr= 1--     -71.034                 67.470                 -2.999
 CID3   Fr= 1--     -20.285                 13.018                 -0.392
 RC180  Fr= 1--      -0.727                 -0.343                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.02    -0.02  -0.11   0.03    -0.07  -0.11  -0.00
     2   6    -0.02  -0.01  -0.05    -0.02   0.05   0.08    -0.14   0.10   0.02
     3   6    -0.11  -0.00   0.20    -0.11   0.05  -0.07    -0.04  -0.05   0.09
     4   6    -0.01   0.14  -0.13     0.08  -0.10   0.04     0.01  -0.00  -0.02
     5   8     0.03   0.00   0.06     0.01   0.05   0.02     0.01   0.01   0.01
     6   6    -0.00   0.00  -0.03     0.08   0.04   0.00     0.10   0.11  -0.06
     7   7    -0.08  -0.14  -0.00    -0.08  -0.05   0.00     0.09   0.03   0.00
     8   8     0.07  -0.05  -0.08    -0.01   0.02  -0.05     0.02  -0.01  -0.03
     9   1    -0.02   0.02   0.20    -0.18   0.08  -0.08    -0.02  -0.13   0.10
    10   1     0.20  -0.13   0.00    -0.16   0.14   0.04    -0.10   0.09   0.02
    11   1     0.01   0.26   0.22     0.06   0.01   0.10     0.02   0.05   0.08
    12   1     0.27   0.02  -0.18     0.42   0.45  -0.05    -0.28  -0.32   0.05
    13   1     0.43   0.41   0.01     0.38   0.16   0.07    -0.32  -0.12  -0.06
    14   1    -0.18  -0.07   0.16     0.19   0.03  -0.14    -0.13  -0.14   0.06
    15   1     0.25   0.03  -0.00    -0.13  -0.04  -0.01     0.15  -0.09   0.00
    16   1     0.06  -0.01   0.09     0.15   0.04  -0.13     0.51   0.07  -0.14
    17   1     0.02   0.10   0.06    -0.02  -0.25  -0.09     0.02  -0.40  -0.03
    18   1     0.01  -0.11   0.03     0.01   0.11  -0.04     0.07  -0.08  -0.01
    19   1     0.01   0.15   0.07    -0.01  -0.21  -0.09     0.07   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.6335               959.8880               988.0867
 Red. masses --      1.2349                 1.6735                 1.9873
 Frc consts  --      0.6410                 0.9085                 1.1432
 IR Inten    --      1.7068                15.9182                23.3525
 RamAct Fr= 1--      0.5472                 4.9345                 2.8516
  Dep-P Fr= 1--      0.5614                 0.7012                 0.5573
  Dep-U Fr= 1--      0.7191                 0.8244                 0.7158
 Alpha2 Fr= 1--      0.0020                 0.0042                 0.0105
 Beta2  Fr= 1--      0.0656                 0.6780                 0.3402
 AlphaG Fr= 1--     -0.0105                -0.0139                -0.0219
 Gamma2 Fr= 1--      0.4624                 0.0141                -0.0444
 Delta2 Fr= 1--      0.4109                 0.1957                -0.1156
 Raman1 Fr= 1--       2.189                 19.738                 11.406
 ROA1   Fr= 1--      57.537                  7.619                 -7.961
 CID1   Fr= 1--      26.286                  0.386                 -0.698
 Raman2 Fr= 1--       0.787                  8.136                  4.082
 ROA2   Fr= 1--       7.809                 -1.226                 -0.141
 CID2   Fr= 1--       9.923                 -0.151                 -0.035
 Raman3 Fr= 1--       1.574                 16.272                  8.164
 ROA3   Fr= 1--      57.537                  7.619                 -7.961
 CID3   Fr= 1--      36.555                  0.468                 -0.975
 RC180  Fr= 1--       0.438                  0.649                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.07    -0.10   0.03  -0.01     0.01  -0.11   0.03
     2   6     0.00  -0.03   0.00    -0.08  -0.01   0.00     0.02   0.11  -0.03
     3   6    -0.06  -0.02   0.00     0.13   0.05  -0.00     0.17   0.05  -0.02
     4   6     0.02  -0.01  -0.00    -0.02   0.02   0.02    -0.02   0.03   0.02
     5   8     0.01   0.01   0.01    -0.02  -0.02  -0.02    -0.02  -0.03  -0.02
     6   6    -0.00  -0.06  -0.05     0.09  -0.03  -0.02    -0.11   0.04  -0.04
     7   7     0.02   0.04  -0.00    -0.04  -0.06  -0.00    -0.05  -0.06   0.00
     8   8     0.01  -0.00  -0.02    -0.02   0.01   0.04    -0.03   0.01   0.05
     9   1    -0.12  -0.04  -0.00     0.26   0.07   0.00     0.33   0.09  -0.01
    10   1     0.25   0.30  -0.06    -0.05  -0.04   0.01     0.21   0.29  -0.06
    11   1     0.01   0.03   0.04    -0.02  -0.07  -0.08    -0.03  -0.08  -0.08
    12   1    -0.06  -0.01   0.04     0.09  -0.00  -0.07     0.13   0.03  -0.08
    13   1    -0.07  -0.03  -0.01     0.14   0.06   0.02     0.19   0.08   0.03
    14   1    -0.05   0.11   0.15     0.26   0.18  -0.10    -0.48  -0.20   0.27
    15   1     0.38   0.23  -0.08     0.07   0.16  -0.08     0.21  -0.05   0.04
    16   1    -0.31  -0.04   0.26    -0.22   0.00   0.04     0.23   0.00   0.09
    17   1    -0.02  -0.28  -0.18     0.11  -0.47   0.03    -0.06  -0.11  -0.11
    18   1     0.09   0.47  -0.07     0.20  -0.03   0.02    -0.03   0.09  -0.04
    19   1     0.06  -0.10  -0.18     0.20   0.55   0.01    -0.03  -0.30  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1072.3482              1114.8054              1135.3744
 Red. masses --      1.2662                 2.5390                 2.4487
 Frc consts  --      0.8579                 1.8591                 1.8598
 IR Inten    --      7.1042                16.6552               220.9526
 RamAct Fr= 1--      2.2939                 2.5905                 1.1430
  Dep-P Fr= 1--      0.1725                 0.5238                 0.7161
  Dep-U Fr= 1--      0.2942                 0.6875                 0.8345
 Alpha2 Fr= 1--      0.0335                 0.0114                 0.0007
 Beta2  Fr= 1--      0.1125                 0.2968                 0.1590
 AlphaG Fr= 1--      0.0189                 0.0078                -0.0047
 Gamma2 Fr= 1--     -0.3308                -0.8314                 0.2991
 Delta2 Fr= 1--     -0.0434                -1.1021                -0.1082
 Raman1 Fr= 1--       9.176                 10.362                  4.572
 ROA1   Fr= 1--     -33.150               -115.081                 25.256
 CID1   Fr= 1--      -3.613                -11.106                  5.524
 Raman2 Fr= 1--       1.350                  3.562                  1.908
 ROA2   Fr= 1--      -7.593                -11.137                  8.045
 CID2   Fr= 1--      -5.625                 -3.127                  4.217
 Raman3 Fr= 1--       2.700                  7.124                  3.816
 ROA3   Fr= 1--     -33.150               -115.081                 25.256
 CID3   Fr= 1--     -12.279                -16.154                  6.619
 RC180  Fr= 1--      -0.412                  0.375                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05    -0.03  -0.06  -0.06     0.03  -0.00  -0.01
     2   6     0.01   0.01   0.07     0.11   0.12   0.05    -0.03   0.01   0.03
     3   6    -0.03  -0.05  -0.04    -0.09   0.23   0.03    -0.03   0.10  -0.01
     4   6    -0.01  -0.03  -0.00     0.05   0.00   0.02    -0.14  -0.17  -0.07
     5   8     0.01   0.02   0.02    -0.02  -0.03  -0.05     0.04   0.11   0.16
     6   6    -0.02   0.01  -0.05    -0.04  -0.06   0.04     0.01  -0.02  -0.03
     7   7    -0.02   0.06  -0.01     0.05  -0.13  -0.06     0.03  -0.05  -0.01
     8   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.03  -0.00  -0.05
     9   1     0.24  -0.43   0.05    -0.22   0.06   0.05     0.43   0.37  -0.01
    10   1     0.29  -0.20   0.14     0.45   0.04   0.10     0.07  -0.07   0.06
    11   1     0.00  -0.03  -0.05     0.00   0.12   0.14    -0.09  -0.31  -0.54
    12   1     0.16   0.48   0.15    -0.13  -0.13   0.11    -0.11  -0.23  -0.04
    13   1     0.01  -0.26   0.06    -0.27  -0.48  -0.07    -0.04   0.04  -0.05
    14   1    -0.17  -0.04   0.14     0.05   0.10   0.02     0.01   0.05   0.03
    15   1     0.22   0.02  -0.02    -0.07   0.05   0.00     0.13   0.07  -0.03
    16   1     0.05  -0.01   0.09    -0.21  -0.04   0.08    -0.05  -0.01   0.06
    17   1     0.05  -0.00   0.10     0.06  -0.11   0.09    -0.00   0.12   0.03
    18   1     0.04  -0.23   0.03     0.05  -0.31   0.02    -0.05  -0.05   0.00
    19   1     0.01   0.21   0.10     0.01   0.12   0.07    -0.06  -0.11   0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1152.5721              1196.8882              1248.7996
 Red. masses --      2.5599                 1.7459                 1.7352
 Frc consts  --      2.0036                 1.4736                 1.5944
 IR Inten    --     25.7572                 7.1083                 6.2207
 RamAct Fr= 1--      5.7456                 1.7194                 2.4817
  Dep-P Fr= 1--      0.6297                 0.5837                 0.0947
  Dep-U Fr= 1--      0.7728                 0.7371                 0.1730
 Alpha2 Fr= 1--      0.0126                 0.0054                 0.0440
 Beta2  Fr= 1--      0.7400                 0.2112                 0.0716
 AlphaG Fr= 1--     -0.0231                -0.0048                 0.0218
 Gamma2 Fr= 1--      1.4709                 0.1210                 0.3099
 Delta2 Fr= 1--      0.9635                 0.0548                 0.1284
 Raman1 Fr= 1--      22.982                  6.878                  9.927
 ROA1   Fr= 1--     172.036                 13.369                 33.863
 CID1   Fr= 1--       7.486                  1.944                  3.411
 Raman2 Fr= 1--       8.880                  2.535                  0.859
 ROA2   Fr= 1--      27.593                  2.465                  6.411
 CID2   Fr= 1--       3.107                  0.972                  7.466
 Raman3 Fr= 1--      17.761                  5.070                  1.717
 ROA3   Fr= 1--     172.036                 13.369                 33.863
 CID3   Fr= 1--       9.686                  2.637                 19.718
 RC180  Fr= 1--       0.546                  0.474                 -0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.08  -0.04    -0.09   0.04   0.06    -0.04   0.00  -0.08
     2   6     0.12   0.18  -0.10     0.13  -0.12  -0.04     0.08   0.00   0.15
     3   6     0.01  -0.16   0.05    -0.02   0.02  -0.02    -0.03  -0.09  -0.11
     4   6    -0.09   0.00  -0.06    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   8     0.02   0.03   0.06     0.00   0.02   0.03     0.00  -0.00  -0.01
     6   6    -0.04  -0.06   0.11    -0.05   0.10   0.05    -0.03  -0.00  -0.06
     7   7    -0.01   0.06   0.03     0.00  -0.00  -0.01     0.01   0.01   0.05
     8   8     0.03  -0.01  -0.03     0.01  -0.00  -0.02    -0.01   0.00   0.01
     9   1    -0.09  -0.17   0.03    -0.17   0.17  -0.07    -0.23   0.43  -0.22
    10   1     0.14   0.49  -0.18     0.30  -0.25   0.00    -0.01   0.17   0.10
    11   1    -0.01  -0.12  -0.17    -0.03  -0.09  -0.14     0.02   0.04   0.07
    12   1     0.05   0.09  -0.00    -0.01   0.00   0.00    -0.09  -0.32  -0.13
    13   1     0.08   0.16   0.03    -0.02  -0.03  -0.01     0.08   0.45  -0.02
    14   1     0.21   0.08  -0.13    -0.18  -0.23  -0.02    -0.15  -0.00   0.12
    15   1    -0.40   0.01   0.04    -0.21  -0.27   0.13     0.18   0.01  -0.02
    16   1    -0.29  -0.03  -0.06     0.33   0.06  -0.14     0.03  -0.01   0.14
    17   1     0.03  -0.26   0.01     0.02  -0.34  -0.04     0.09  -0.02   0.17
    18   1     0.10  -0.19  -0.01     0.22   0.26  -0.01     0.06  -0.27   0.01
    19   1     0.06   0.13  -0.03     0.15   0.26  -0.12    -0.01   0.23   0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1284.0916              1346.2876              1363.1396
 Red. masses --      1.3605                 1.5217                 1.4860
 Frc consts  --      1.3217                 1.6250                 1.6269
 IR Inten    --      2.1901                12.2709                10.3289
 RamAct Fr= 1--      3.7464                 3.7163                 1.9714
  Dep-P Fr= 1--      0.6433                 0.6809                 0.7297
  Dep-U Fr= 1--      0.7829                 0.8102                 0.8437
 Alpha2 Fr= 1--      0.0072                 0.0045                 0.0007
 Beta2  Fr= 1--      0.4889                 0.5018                 0.2772
 AlphaG Fr= 1--      0.0110                 0.0183                -0.0016
 Gamma2 Fr= 1--     -0.6766                -0.2141                -0.7839
 Delta2 Fr= 1--     -0.6832                -0.2749                -0.4325
 Raman1 Fr= 1--      14.986                 14.865                  7.886
 ROA1   Fr= 1--     -86.818                -29.347                -89.099
 CID1   Fr= 1--      -5.793                 -1.974                -11.299
 Raman2 Fr= 1--       5.866                  6.022                  3.327
 ROA2   Fr= 1--     -10.773                 -2.938                -15.355
 CID2   Fr= 1--      -1.836                 -0.488                 -4.616
 Raman3 Fr= 1--      11.733                 12.044                  6.653
 ROA3   Fr= 1--     -86.818                -29.347                -89.099
 CID3   Fr= 1--      -7.400                 -2.437                -13.392
 RC180  Fr= 1--       0.566                  0.620                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01     0.03   0.00  -0.02     0.01   0.00  -0.06
     2   6     0.01  -0.00  -0.04    -0.11  -0.05  -0.00    -0.03  -0.13   0.04
     3   6    -0.08  -0.03  -0.04    -0.04   0.01  -0.06     0.05   0.02   0.07
     4   6    -0.05  -0.06  -0.02     0.10   0.06   0.06    -0.06  -0.05  -0.03
     5   8     0.04   0.00  -0.05    -0.04  -0.01   0.01     0.02   0.01  -0.00
     6   6     0.00   0.01   0.04     0.02   0.02   0.06     0.00   0.04   0.01
     7   7     0.01   0.00   0.01     0.00  -0.00   0.04    -0.01   0.00  -0.05
     8   8    -0.02   0.03   0.06    -0.01  -0.01  -0.02     0.01   0.01   0.01
     9   1     0.67   0.14   0.02     0.17  -0.19  -0.00    -0.12   0.16   0.03
    10   1     0.22   0.00  -0.03     0.70   0.30  -0.03     0.01   0.78  -0.20
    11   1     0.13   0.34   0.52    -0.08  -0.18  -0.29     0.04   0.10   0.15
    12   1    -0.04  -0.08  -0.01    -0.04  -0.18  -0.07     0.04   0.22   0.09
    13   1    -0.00   0.11  -0.02     0.04   0.21   0.00    -0.04  -0.24   0.00
    14   1     0.06  -0.02  -0.07     0.14  -0.02  -0.13     0.00  -0.07  -0.07
    15   1    -0.10  -0.03   0.03    -0.10  -0.03   0.05     0.02  -0.10   0.05
    16   1    -0.00   0.01  -0.07     0.07   0.03  -0.14     0.10   0.03  -0.02
    17   1    -0.01  -0.05  -0.03    -0.01   0.10  -0.01     0.05   0.15   0.13
    18   1     0.02   0.02   0.00    -0.10  -0.05  -0.01    -0.00  -0.05  -0.04
    19   1     0.01  -0.02  -0.03    -0.03   0.01   0.07    -0.03   0.13   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1374.2619              1402.1854              1414.7888
 Red. masses --      1.4606                 1.2364                 1.4220
 Frc consts  --      1.6252                 1.4323                 1.6770
 IR Inten    --     13.6021                 4.9096                10.0861
 RamAct Fr= 1--      9.5590                 0.0337                 2.4393
  Dep-P Fr= 1--      0.7332                 0.3798                 0.7270
  Dep-U Fr= 1--      0.8460                 0.5505                 0.8419
 Alpha2 Fr= 1--      0.0028                 0.0003                 0.0010
 Beta2  Fr= 1--      1.3479                 0.0031                 0.3423
 AlphaG Fr= 1--     -0.0065                -0.0017                -0.0009
 Gamma2 Fr= 1--      1.4750                 0.0352                -0.6428
 Delta2 Fr= 1--      0.8353                 0.0015                 0.0388
 Raman1 Fr= 1--      38.236                  0.135                  9.757
 ROA1   Fr= 1--     168.328                  3.423                -60.472
 CID1   Fr= 1--       4.402                 25.421                 -6.198
 Raman2 Fr= 1--      16.175                  0.037                  4.107
 ROA2   Fr= 1--      28.716                  0.832                -15.738
 CID2   Fr= 1--       1.775                 22.457                 -3.832
 Raman3 Fr= 1--      32.349                  0.074                  8.215
 ROA3   Fr= 1--     168.328                  3.423                -60.472
 CID3   Fr= 1--       5.203                 46.181                 -7.361
 RC180  Fr= 1--       0.692                  0.101                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.01    -0.01  -0.06  -0.00     0.00  -0.06  -0.00
     2   6    -0.11   0.05   0.01     0.02   0.01  -0.01    -0.01   0.03  -0.01
     3   6     0.10  -0.05  -0.01     0.00   0.01  -0.01    -0.05  -0.10   0.05
     4   6    -0.08  -0.04  -0.03    -0.01  -0.01  -0.01     0.08   0.06   0.04
     5   8     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02  -0.00
     6   6     0.02  -0.01   0.02    -0.11  -0.04   0.04     0.02  -0.01  -0.00
     7   7    -0.01   0.01  -0.01     0.00   0.00   0.01     0.00   0.00  -0.06
     8   8     0.01   0.01   0.01     0.00   0.00   0.00    -0.01  -0.01  -0.01
     9   1    -0.52   0.27  -0.14    -0.03  -0.11   0.01     0.26   0.70  -0.03
    10   1     0.59  -0.32   0.16    -0.03  -0.04   0.00     0.01  -0.07   0.02
    11   1     0.06   0.13   0.21     0.01   0.02   0.04    -0.05  -0.12  -0.16
    12   1     0.05   0.06  -0.02    -0.00  -0.04  -0.02     0.03   0.26   0.13
    13   1     0.03  -0.07   0.02     0.01   0.04   0.00    -0.08  -0.23  -0.03
    14   1     0.05   0.04   0.01     0.32   0.29  -0.26    -0.01   0.00   0.04
    15   1    -0.07   0.07  -0.02     0.42   0.22   0.02    -0.05   0.02  -0.02
    16   1    -0.01   0.00  -0.07     0.49  -0.08  -0.16    -0.06  -0.00   0.00
    17   1    -0.03   0.04  -0.05    -0.07   0.23   0.08    -0.08   0.21   0.03
    18   1    -0.12   0.06  -0.01     0.06   0.26  -0.09    -0.04   0.25  -0.09
    19   1    -0.03  -0.05   0.05     0.11   0.21   0.05     0.09   0.22   0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.4246              1488.2400              1492.1368
 Red. masses --      1.2476                 1.0515                 1.0453
 Frc consts  --      1.4998                 1.3721                 1.3713
 IR Inten    --      6.4312                 4.1386                 1.9502
 RamAct Fr= 1--      0.8716                 1.3197                 9.0701
  Dep-P Fr= 1--      0.7335                 0.7494                 0.7500
  Dep-U Fr= 1--      0.8462                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1229                 0.1884                 1.2957
 AlphaG Fr= 1--      0.0007                -0.0007                 0.0004
 Gamma2 Fr= 1--      0.0522                 0.6712                -0.8740
 Delta2 Fr= 1--      0.1053                 0.3657                 0.6408
 Raman1 Fr= 1--       3.486                  5.279                 36.280
 ROA1   Fr= 1--       8.376                 76.140                -63.402
 CID1   Fr= 1--       2.403                 14.424                 -1.748
 Raman2 Fr= 1--       1.475                  2.261                 15.548
 ROA2   Fr= 1--       0.410                 13.184                -26.104
 CID2   Fr= 1--       0.278                  5.830                 -1.679
 Raman3 Fr= 1--       2.950                  4.523                 31.096
 ROA3   Fr= 1--       8.376                 76.140                -63.402
 CID3   Fr= 1--       2.839                 16.835                 -2.039
 RC180  Fr= 1--       0.692                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01    -0.04   0.01  -0.00     0.02  -0.00   0.02
     2   6     0.00   0.00   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.03  -0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00    -0.00  -0.02  -0.04
     7   7     0.00  -0.00   0.03    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1    -0.05  -0.31   0.01     0.01   0.02  -0.00     0.01  -0.03   0.00
    10   1    -0.01  -0.02   0.01     0.04   0.04  -0.01     0.01   0.07  -0.03
    11   1     0.01   0.04   0.06    -0.00  -0.01  -0.01     0.00   0.00   0.01
    12   1    -0.02  -0.14  -0.06     0.01   0.01   0.00    -0.00  -0.00   0.00
    13   1     0.03   0.12   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.18  -0.15   0.17    -0.12   0.21   0.36     0.02   0.44   0.29
    15   1    -0.24  -0.09  -0.02    -0.30   0.37  -0.16    -0.35  -0.05  -0.05
    16   1    -0.26   0.04   0.08     0.20  -0.03  -0.20     0.32  -0.06   0.32
    17   1    -0.11   0.41   0.15     0.06   0.17   0.29    -0.19   0.01  -0.39
    18   1     0.05   0.45  -0.17     0.49  -0.04   0.01    -0.30  -0.14   0.05
    19   1     0.16   0.36   0.15     0.01  -0.21  -0.26     0.18   0.21  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6469              1515.7285              1664.2101
 Red. masses --      1.0499                 1.0494                 1.0899
 Frc consts  --      1.4041                 1.4204                 1.7785
 IR Inten    --      3.4507                15.7266                33.1112
 RamAct Fr= 1--      9.0862                 0.4885                 2.5988
  Dep-P Fr= 1--      0.7439                 0.7410                 0.5854
  Dep-U Fr= 1--      0.8532                 0.8512                 0.7385
 Alpha2 Fr= 1--      0.0009                 0.0001                 0.0080
 Beta2  Fr= 1--      1.2920                 0.0693                 0.3199
 AlphaG Fr= 1--     -0.0017                -0.0000                -0.0052
 Gamma2 Fr= 1--     -0.6627                 0.8879                -0.2983
 Delta2 Fr= 1--     -0.6014                 0.3558                -0.0782
 Raman1 Fr= 1--      36.345                  1.954                 10.395
 ROA1   Fr= 1--     -82.863                 96.625                -31.134
 CID1   Fr= 1--      -2.280                 49.448                 -2.995
 Raman2 Fr= 1--      15.504                  0.832                  3.838
 ROA2   Fr= 1--     -11.094                 18.463                 -6.533
 CID2   Fr= 1--      -0.716                 22.199                 -1.702
 Raman3 Fr= 1--      31.008                  1.663                  7.677
 ROA3   Fr= 1--     -82.863                 96.625                -31.134
 CID3   Fr= 1--      -2.672                 58.088                 -4.056
 RC180  Fr= 1--       0.706                  0.702                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03    -0.01   0.00  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.01  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03     0.00   0.00   0.00
     7   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.03  -0.04   0.01     0.02  -0.00   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.02     0.06  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.18   0.38   0.54
    13   1    -0.00   0.01  -0.00     0.01  -0.00   0.00    -0.37   0.58  -0.23
    14   1    -0.11   0.06   0.21     0.18   0.28  -0.05     0.00   0.00  -0.00
    15   1    -0.14   0.31  -0.11    -0.10  -0.40   0.09    -0.00  -0.00   0.00
    16   1     0.11  -0.01  -0.24     0.13  -0.03   0.53    -0.00   0.00  -0.00
    17   1     0.21  -0.36   0.10     0.22  -0.09   0.37     0.00   0.00   0.00
    18   1    -0.35   0.25  -0.09     0.19   0.20  -0.08     0.00   0.01  -0.00
    19   1    -0.30   0.02   0.51    -0.23  -0.20   0.16    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1803.6597              3010.2248              3026.8372
 Red. masses --      9.5263                 1.0815                 1.0403
 Frc consts  --     18.2593                 5.7739                 5.6153
 IR Inten    --    260.4508                 4.4177                23.9904
 RamAct Fr= 1--     11.5859               156.9052                27.1301
  Dep-P Fr= 1--      0.1222                 0.1919                 0.0489
  Dep-U Fr= 1--      0.2178                 0.3220                 0.0932
 Alpha2 Fr= 1--      0.1921                 2.1770                 0.5374
 Beta2  Fr= 1--      0.4205                 8.4197                 0.4212
 AlphaG Fr= 1--     -0.0315                 0.0931                 0.0141
 Gamma2 Fr= 1--      0.2570                -3.4219                -0.2362
 Delta2 Fr= 1--      0.1030                -3.6425                -0.6825
 Raman1 Fr= 1--      46.344                627.621                108.521
 ROA1   Fr= 1--      27.963               -445.058                -44.516
 CID1   Fr= 1--       0.603                 -0.709                 -0.410
 Raman2 Fr= 1--       5.046                101.037                  5.054
 ROA2   Fr= 1--       5.343                -52.985                 -0.209
 CID2   Fr= 1--       1.059                 -0.524                 -0.041
 Raman3 Fr= 1--      10.092                202.074                 10.109
 ROA3   Fr= 1--      27.963               -445.058                -44.516
 CID3   Fr= 1--       2.771                 -2.202                 -4.404
 RC180  Fr= 1--      -0.564                 -0.356                 -0.814
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.02   0.01
     2   6     0.01  -0.01   0.00     0.01  -0.02  -0.08     0.00  -0.00  -0.01
     3   6     0.03   0.01  -0.04    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6    -0.37   0.10   0.59     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8     0.03  -0.01  -0.05    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.01    -0.00   0.00   0.02     0.04  -0.01  -0.03
     7   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8     0.21  -0.08  -0.38    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.24   0.09  -0.01     0.02  -0.02  -0.14     0.01  -0.01  -0.05
    10   1    -0.06   0.02   0.01    -0.07   0.24   0.92    -0.01   0.03   0.12
    11   1     0.09   0.25   0.39     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.04  -0.03  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02  -0.01   0.02     0.01   0.00   0.01    -0.34   0.20  -0.27
    15   1     0.01   0.01  -0.01     0.02  -0.06  -0.21    -0.08   0.20   0.66
    16   1     0.01   0.00  -0.00     0.00   0.02   0.01    -0.02  -0.31  -0.02
    17   1     0.00   0.02   0.03     0.02   0.00  -0.01    -0.16  -0.05   0.08
    18   1     0.03   0.00   0.00     0.00  -0.04  -0.13     0.00  -0.08  -0.29
    19   1     0.01   0.00  -0.01    -0.01   0.01  -0.00     0.16  -0.09   0.10
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0271              3066.8065              3083.8059
 Red. masses --      1.0377                 1.0853                 1.0988
 Frc consts  --      5.6245                 6.0141                 6.1567
 IR Inten    --     26.0292                14.1574                17.2742
 RamAct Fr= 1--    219.3511                62.6311                39.6376
  Dep-P Fr= 1--      0.0055                 0.0771                 0.5785
  Dep-U Fr= 1--      0.0109                 0.1431                 0.7330
 Alpha2 Fr= 1--      4.8126                 1.1594                 0.1276
 Beta2  Fr= 1--      0.3979                 1.4942                 4.8421
 AlphaG Fr= 1--     -0.3891                 0.3428                 0.0497
 Gamma2 Fr= 1--      0.1162                 5.6156                15.8672
 Delta2 Fr= 1--      0.0147                 4.1991                10.7195
 Raman1 Fr= 1--     877.404                250.524                158.550
 ROA1   Fr= 1--      11.625                673.466               1866.272
 CID1   Fr= 1--       0.013                  2.688                 11.771
 Raman2 Fr= 1--       4.775                 17.930                 58.105
 ROA2   Fr= 1--       2.672                101.180                295.056
 CID2   Fr= 1--       0.560                  5.643                  5.078
 Raman3 Fr= 1--       9.550                 35.860                116.211
 ROA3   Fr= 1--      11.625                673.466               1866.272
 CID3   Fr= 1--       1.217                 18.780                 16.059
 RC180  Fr= 1--      -0.978                 -0.714                  0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01    -0.00  -0.00   0.01     0.01  -0.01   0.03
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01   0.00   0.01    -0.04   0.00  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.09    -0.11   0.15   0.95    -0.01   0.01   0.08
    10   1    -0.01   0.03   0.12    -0.01   0.03   0.13    -0.01   0.02   0.08
    11   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.15   0.09  -0.12    -0.10   0.06  -0.07     0.54  -0.32   0.40
    15   1    -0.03   0.08   0.28     0.00  -0.01  -0.03    -0.07   0.16   0.51
    16   1    -0.01  -0.14  -0.01    -0.00  -0.05  -0.00     0.00   0.14  -0.01
    17   1     0.40   0.14  -0.20     0.07   0.02  -0.03     0.11   0.04  -0.04
    18   1    -0.00   0.17   0.60    -0.00  -0.01  -0.02     0.00  -0.07  -0.23
    19   1    -0.36   0.20  -0.22    -0.05   0.03  -0.02    -0.17   0.10  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2570              3100.5120              3127.1100
 Red. masses --      1.0996                 1.1016                 1.0984
 Frc consts  --      6.2031                 6.2394                 6.3283
 IR Inten    --     48.5166                32.9300                12.0949
 RamAct Fr= 1--     90.0465                64.4428                56.0380
  Dep-P Fr= 1--      0.5296                 0.7297                 0.6080
  Dep-U Fr= 1--      0.6925                 0.8437                 0.7562
 Alpha2 Fr= 1--      0.3844                 0.0224                 0.1466
 Beta2  Fr= 1--     10.3925                 9.0618                 7.0629
 AlphaG Fr= 1--      0.1928                -0.0452                 0.0074
 Gamma2 Fr= 1--    -18.5611                 3.4717                -2.3198
 Delta2 Fr= 1--    -12.4113                 3.5091                -1.0085
 Raman1 Fr= 1--     360.186                257.771                224.152
 ROA1   Fr= 1--   -2179.028                445.572               -254.973
 CID1   Fr= 1--      -6.050                  1.729                 -1.138
 Raman2 Fr= 1--     124.710                108.741                 84.754
 ROA2   Fr= 1--    -346.176                 55.248                -47.608
 CID2   Fr= 1--      -2.776                  0.508                 -0.562
 Raman3 Fr= 1--     249.421                217.483                169.509
 ROA3   Fr= 1--   -2179.028                445.572               -254.973
 CID3   Fr= 1--      -8.736                  2.049                 -1.504
 RC180  Fr= 1--       0.385                  0.687                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.08    -0.09   0.01   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.00     0.01  -0.09  -0.00
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.01   0.10     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   1    -0.01   0.04   0.16     0.00  -0.00  -0.01    -0.00   0.01   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.18  -0.11   0.13     0.04  -0.02   0.03    -0.23   0.12  -0.18
    15   1    -0.03   0.06   0.19    -0.00   0.01   0.02    -0.02   0.04   0.18
    16   1     0.00   0.04  -0.00     0.00   0.02   0.00     0.08   0.92   0.04
    17   1    -0.37  -0.13   0.16     0.62   0.24  -0.31    -0.00  -0.00   0.00
    18   1    -0.00   0.19   0.63    -0.02  -0.01  -0.05     0.00   0.00   0.00
    19   1     0.38  -0.22   0.21     0.50  -0.30   0.32    -0.01   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3480.5984              3557.6323              3708.1296
 Red. masses --      1.0492                 1.0925                 1.0638
 Frc consts  --      7.4887                 8.1467                 8.6187
 IR Inten    --      1.6433                 4.4881                50.4405
 RamAct Fr= 1--    100.4987                52.9725               114.0827
  Dep-P Fr= 1--      0.0766                 0.6043                 0.2299
  Dep-U Fr= 1--      0.1423                 0.7533                 0.3738
 Alpha2 Fr= 1--      1.8626                 0.1426                 1.4296
 Beta2  Fr= 1--      2.3828                 6.6508                 7.1075
 AlphaG Fr= 1--      0.1490                 0.0982                -0.0846
 Gamma2 Fr= 1--      0.2877                -0.1479                -1.2538
 Delta2 Fr= 1--      0.2273                 0.1376                -0.5738
 Raman1 Fr= 1--     401.995                211.890                456.331
 ROA1   Fr= 1--      34.892                 -9.800               -138.727
 CID1   Fr= 1--       0.087                 -0.046                 -0.304
 Raman2 Fr= 1--      28.594                 79.810                 85.290
 ROA2   Fr= 1--       5.086                 -4.651                -25.501
 CID2   Fr= 1--       0.178                 -0.058                 -0.299
 Raman3 Fr= 1--      57.187                159.620                170.581
 ROA3   Fr= 1--      34.892                 -9.800               -138.727
 CID3   Fr= 1--       0.610                 -0.061                 -0.813
 RC180  Fr= 1--      -0.715                  0.507                 -0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   7     0.04  -0.03  -0.03    -0.02   0.02  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.87   0.34  -0.35
    12   1    -0.35   0.32  -0.39     0.48  -0.40   0.47     0.00  -0.00   0.00
    13   1    -0.18   0.15   0.75    -0.18   0.12   0.57    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   641.794321148.021431465.82038
           X            0.99984  -0.01670   0.00645
           Y            0.01681   0.99971  -0.01703
           Z           -0.00617   0.01714   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13496     0.07545     0.05909
 Rotational constants (GHZ):           2.81202     1.57204     1.23122
 Zero-point vibrational energy     431240.9 (Joules/Mol)
                                  103.06904 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     78.38   101.67   246.66   315.73   339.31
          (Kelvin)            362.65   394.92   434.66   513.88   543.88
                              618.65   751.37   895.34   954.57  1096.98
                             1197.98  1232.82  1312.33  1350.48  1381.06
                             1421.64  1542.87  1603.96  1633.55  1658.29
                             1722.06  1796.74  1847.52  1937.01  1961.25
                             1977.26  2017.43  2035.57  2055.18  2141.25
                             2146.85  2167.73  2180.80  2394.43  2595.06
                             4331.04  4354.94  4363.85  4412.45  4436.91
                             4451.95  4460.95  4499.21  5007.80  5118.64
                             5335.17
 
 Zero-point correction=                           0.164251 (Hartree/Particle)
 Thermal correction to Energy=                    0.173760
 Thermal correction to Enthalpy=                  0.174704
 Thermal correction to Gibbs Free Energy=         0.129892
 Sum of electronic and zero-point Energies=           -402.406495
 Sum of electronic and thermal Energies=              -402.396986
 Sum of electronic and thermal Enthalpies=            -402.396042
 Sum of electronic and thermal Free Energies=         -402.440854
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.036             34.351             94.314
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.470
 Vibrational            107.259             28.389             25.656
 Vibration     1          0.596              1.976              4.648
 Vibration     2          0.598              1.968              4.135
 Vibration     3          0.626              1.878              2.420
 Vibration     4          0.647              1.811              1.964
 Vibration     5          0.655              1.786              1.834
 Vibration     6          0.664              1.759              1.716
 Vibration     7          0.677              1.720              1.568
 Vibration     8          0.694              1.670              1.405
 Vibration     9          0.732              1.561              1.134
 Vibration    10          0.748              1.517              1.047
 Vibration    11          0.791              1.405              0.859
 Vibration    12          0.877              1.201              0.605
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.179362D-59        -59.746269       -137.570869
 Total V=0       0.636595D+16         15.803863         36.389740
 Vib (Bot)       0.968277D-73        -73.014001       -168.120949
 Vib (Bot)    1  0.379278D+01          0.578958          1.333100
 Vib (Bot)    2  0.291827D+01          0.465125          1.070991
 Vib (Bot)    3  0.117495D+01          0.070018          0.161221
 Vib (Bot)    4  0.901596D+00         -0.044988         -0.103588
 Vib (Bot)    5  0.832999D+00         -0.079355         -0.182722
 Vib (Bot)    6  0.773555D+00         -0.111509         -0.256758
 Vib (Bot)    7  0.702467D+00         -0.153374         -0.353156
 Vib (Bot)    8  0.628757D+00         -0.201517         -0.464010
 Vib (Bot)    9  0.514146D+00         -0.288913         -0.665248
 Vib (Bot)   10  0.478964D+00         -0.319697         -0.736129
 Vib (Bot)   11  0.405225D+00         -0.392304         -0.903314
 Vib (Bot)   12  0.308452D+00         -0.510812         -1.176188
 Vib (V=0)       0.343662D+03          2.536132          5.839660
 Vib (V=0)    1  0.432560D+01          0.636046          1.464550
 Vib (V=0)    2  0.346079D+01          0.539176          1.241498
 Vib (V=0)    3  0.177691D+01          0.249665          0.574875
 Vib (V=0)    4  0.153096D+01          0.184964          0.425894
 Vib (V=0)    5  0.147154D+01          0.167772          0.386309
 Vib (V=0)    6  0.142108D+01          0.152618          0.351417
 Vib (V=0)    7  0.136224D+01          0.134254          0.309131
 Vib (V=0)    8  0.130333D+01          0.115054          0.264921
 Vib (V=0)    9  0.121718D+01          0.085355          0.196536
 Vib (V=0)   10  0.119239D+01          0.076419          0.175961
 Vib (V=0)   11  0.114359D+01          0.058270          0.134172
 Vib (V=0)   12  0.108749D+01          0.036425          0.083871
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.372014D+06          5.570559         12.826686
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1    11111111111  111111 1                                    
     7     5 4        11000000                                         8    65544444333  221111 0 9999 88 7   66   5  43332222 1     
     0     5 8        20986321                                         0    61098210764  849531 7 8631 53 6   62   2  37507531 7  75 
     8     8 1        71447370                                         4    46728852436  497355 2 8092 73 2   32   2  08724269 1  14 
 
     X     X X        XXXXXXXX                                         X    XXXXXXXXXXX  XXXXXX X XXXX XX X   XX   X  XXXXXXXX X  XX 
     X                 XX  XX                                          X    X               XX    X  X XX X   XX           X         
     X                 XX                                              X    X                X       X XX X    X                     
     X                  X                                              X                     X         XX      X                     
                                                                       X                     X          X      X                     
                                                                       X                     X                 X                     
                                                                       X                     X                                       
                                                                       X                     X                                       
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                                                                       X                     X                                       
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                                                                       X                     X                                       
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                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000049    0.000005963   -0.000000733
      2        6           0.000005019   -0.000014311    0.000003672
      3        6          -0.000016054    0.000008367   -0.000003031
      4        6           0.000011180    0.000011343    0.000012006
      5        8          -0.000004190   -0.000006111   -0.000006941
      6        6          -0.000002392   -0.000000766   -0.000006625
      7        7           0.000005978   -0.000004704    0.000002399
      8        8          -0.000000525   -0.000000095   -0.000005027
      9        1           0.000000035   -0.000000608   -0.000000371
     10        1          -0.000000806    0.000000257   -0.000000287
     11        1           0.000000196   -0.000000016   -0.000000147
     12        1          -0.000000579    0.000002362   -0.000001778
     13        1           0.000000698    0.000000241    0.000001081
     14        1           0.000000602    0.000000045   -0.000000959
     15        1           0.000000126   -0.000001360    0.000002329
     16        1          -0.000001648   -0.000002638    0.000001946
     17        1           0.000001858    0.000001877   -0.000001321
     18        1          -0.000000151    0.000000096    0.000002044
     19        1           0.000000704    0.000000057    0.000001742
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016054 RMS     0.000004789
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.865798D+02  0.184044D+01 -0.136918D+01
      2   0.184044D+01  0.793110D+02  0.174052D+01
      3  -0.136918D+01  0.174052D+01  0.714628D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.131027D+01  0.745552D-01  0.164937D+01
      2   0.274716D+01 -0.492920D+01  0.233796D+02
      3   0.545522D+01 -0.361137D+02  0.547779D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.787806D+02 -0.170677D+02  0.745440D+01
      2  -0.350179D+02  0.121507D+02 -0.382725D+01
      3  -0.437627D+02  0.491700D+01 -0.362715D+01
      4  -0.242679D+02  0.600630D+02 -0.165300D+02
      5   0.865011D+01 -0.171439D+02  0.329062D+02
      6  -0.544403D+01 -0.148968D+01 -0.105981D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.978054D+00  0.443768D+01 -0.372897D+01  0.376364D+01 -0.107308D+01
      2   0.443768D+01 -0.141391D+01  0.538823D+00 -0.107308D+01 -0.328990D+01
      3  -0.372897D+01  0.538823D+00 -0.288066D+00  0.352453D+00 -0.261767D+00
                 6             7             8             9            10 
      1   0.352453D+00 -0.402123D+01  0.441406D+00 -0.355118D+00  0.424716D+00
      2  -0.261767D+00  0.441406D+00 -0.758801D+00  0.346590D+01 -0.429846D+01
      3   0.279193D+01 -0.355118D+00  0.346590D+01  0.432762D+01  0.233264D+01
                11            12            13            14            15 
      1  -0.429846D+01  0.233264D+01 -0.619549D+01  0.172223D+01 -0.701484D-01
      2   0.203665D+01 -0.180120D+00  0.172223D+01  0.410594D+01 -0.876146D-01
      3  -0.180120D+00  0.822256D+00 -0.701484D-01 -0.876146D-01 -0.230823D+01
                16            17            18            19            20 
      1   0.488833D+01 -0.268364D+00  0.115898D+01 -0.175164D+01  0.521755D+01
      2  -0.268364D+00  0.664740D+00 -0.275629D+01  0.521755D+01 -0.479256D+00
      3   0.115898D+01 -0.275629D+01 -0.744310D+01 -0.106709D+01  0.144182D+00
                21            22            23            24            25 
      1  -0.106709D+01  0.405777D+01 -0.122920D+01  0.279552D+00 -0.438148D+01
      2   0.144182D+00 -0.122920D+01 -0.262469D+01 -0.178749D+00 -0.555893D-01
      3  -0.606375D+00  0.279552D+00 -0.178749D+00  0.130698D+01 -0.883216D+00
                26            27            28            29            30 
      1  -0.555893D-01 -0.883216D+00 -0.279379D+00 -0.226136D+01 -0.347637D+00
      2  -0.171142D+01  0.162130D+01 -0.226136D+01  0.117070D+01  0.844846D+00
      3   0.162130D+01  0.612184D+01 -0.347637D+00  0.844846D+00  0.167863D+01
                31            32            33            34            35 
      1  -0.165816D+01 -0.287215D+00  0.110583D+01 -0.270988D+01  0.626578D+00
      2  -0.287215D+00 -0.104435D+01  0.285621D+00  0.626578D+00 -0.114962D+00
      3   0.110583D+01  0.285621D+00 -0.330041D+00  0.218955D+01 -0.356016D+00
                36            37            38            39            40 
      1   0.218955D+01  0.471582D+01  0.180765D+01 -0.161758D+01  0.136120D+01
      2  -0.356016D+00  0.180765D+01  0.115407D+01 -0.266032D+00  0.799366D+00
      3  -0.397801D+01 -0.161758D+01 -0.266032D+00 -0.174925D+00 -0.622804D+00
                41            42            43            44            45 
      1   0.799366D+00 -0.622804D+00 -0.353475D+01 -0.138066D+01 -0.185172D+01
      2  -0.163363D+01 -0.167320D+01 -0.138066D+01 -0.249859D+01 -0.139758D+01
      3  -0.167320D+01 -0.551259D+00 -0.185172D+01 -0.139758D+01 -0.383715D+01
                46            47            48            49            50 
      1   0.246612D+00  0.343353D+01 -0.323044D+01  0.424763D+01 -0.172374D+01
      2   0.343353D+01 -0.101805D+01  0.343205D+00 -0.172374D+01 -0.561976D+01
      3  -0.323044D+01  0.343205D+00 -0.181085D+01  0.464546D+00 -0.407558D+00
                51            52            53            54            55 
      1   0.464546D+00 -0.501256D+01  0.293682D+00 -0.273471D+01  0.248734D+01
      2  -0.407558D+00  0.293682D+00 -0.554294D+00  0.238626D+01 -0.214842D+01
      3   0.250970D+01 -0.273471D+01  0.238626D+01  0.511223D+01  0.114597D+01
                56            57            58            59            60 
      1  -0.214842D+01  0.114597D+01 -0.957689D+00  0.243453D+01 -0.779219D+00
      2   0.328069D+01 -0.520705D+00  0.243453D+01  0.383250D+01  0.541022D+00
      3  -0.520705D+00  0.239022D+01 -0.779219D+00  0.541022D+00 -0.137599D+01
                61            62            63            64            65 
      1   0.174602D+01 -0.101890D+01  0.247311D+01 -0.523078D+01  0.768360D+00
      2  -0.101890D+01  0.605545D+00 -0.145821D+01  0.768360D+00 -0.175851D+01
      3   0.247311D+01 -0.145821D+01 -0.289242D+01  0.327079D+01 -0.691028D+00
                66            67            68            69            70 
      1   0.327079D+01  0.149718D+01 -0.132285D+01 -0.576633D+00  0.572932D+01
      2  -0.691028D+00 -0.132285D+01  0.204307D+01  0.202671D+01 -0.209789D-01
      3  -0.271691D+01 -0.576633D+00  0.202671D+01  0.773607D+00 -0.327980D+01
                71            72            73            74            75 
      1  -0.209789D-01 -0.327980D+01  0.567179D+00 -0.693269D+00 -0.103351D+01
      2   0.317794D+01  0.955929D+00 -0.693269D+00  0.358899D+00  0.281034D-01
      3   0.955929D+00  0.864962D+01 -0.103351D+01  0.281034D-01  0.836684D+00
                76            77            78            79            80 
      1  -0.969536D+00  0.236492D+00 -0.146309D-01 -0.126228D+01  0.998007D-01
      2   0.236492D+00  0.641572D-01 -0.106809D+01  0.998007D-01 -0.140577D+01
      3  -0.146309D-01 -0.106809D+01 -0.657666D+00  0.308103D+00 -0.293108D+00
                81            82            83            84            85 
      1   0.308103D+00 -0.178485D+00  0.976613D+00  0.850687D+00  0.115853D+01
      2  -0.293108D+00  0.976613D+00 -0.400014D+00  0.302191D-01 -0.287064D+00
      3  -0.736986D+01  0.850687D+00  0.302191D-01 -0.188151D+00  0.244790D-01
                86            87            88            89            90 
      1  -0.287064D+00  0.244790D-01  0.126743D+01 -0.188093D-01 -0.154724D-01
      2   0.362154D+00  0.141814D+01 -0.188093D-01  0.182982D+01  0.129073D+01
      3   0.141814D+01  0.144721D+01 -0.154724D-01  0.129073D+01  0.786235D+01
                91            92            93            94            95 
      1  -0.770942D+01 -0.338804D+01 -0.486679D+00 -0.274784D+01 -0.195198D+01
      2  -0.338804D+01 -0.255230D+01 -0.280862D+00 -0.195198D+01 -0.193795D+01
      3  -0.486679D+00 -0.280862D+00 -0.117712D+01 -0.994585D-01 -0.286697D+00
                96            97            98            99           100 
      1  -0.994585D-01  0.218767D+01  0.103907D+01 -0.696871D+00 -0.197661D+01
      2  -0.286697D+00  0.103907D+01  0.626870D+00 -0.352538D+00  0.246557D+01
      3  -0.554199D+00 -0.696871D+00 -0.352538D+00 -0.520213D-01 -0.129277D+01
               101           102           103           104           105 
      1   0.246557D+01 -0.129277D+01  0.193967D+01 -0.220178D+01  0.988975D+00
      2  -0.326206D+01  0.137083D+01 -0.220178D+01  0.443007D+01 -0.158250D+01
      3   0.137083D+01 -0.133463D+01  0.988975D+00 -0.158250D+01  0.133512D+01
               106           107           108           109           110 
      1  -0.197098D+01  0.153715D+01 -0.150786D+01 -0.232893D+00  0.784776D+00
      2   0.153715D+01 -0.298273D+01  0.201311D+01  0.784776D+00 -0.860791D+00
      3  -0.150786D+01  0.201311D+01 -0.213272D+01  0.339828D+00 -0.557532D+00
               111           112           113           114           115 
      1   0.339828D+00  0.677632D+00 -0.359232D+00 -0.465136D+00  0.127030D+01
      2  -0.557532D+00 -0.359232D+00  0.144948D+01  0.924150D+00 -0.461173D+00
      3  -0.860500D+00 -0.465136D+00  0.924150D+00  0.116814D+01 -0.924134D+00
               116           117           118           119           120 
      1  -0.461173D+00 -0.924134D+00  0.731272D+01 -0.175153D+01  0.244875D+01
      2   0.268016D+01  0.200740D+01 -0.175153D+01  0.132938D+01 -0.545623D+00
      3   0.200740D+01  0.463613D+01  0.244875D+01 -0.545623D+00  0.179428D+01
               121           122           123           124           125 
      1  -0.328233D+01  0.180816D+01 -0.702907D+00  0.429008D+01 -0.656754D+00
      2   0.180816D+01 -0.860341D+00  0.795882D+00 -0.656754D+00  0.105172D+01
      3  -0.702907D+00  0.795882D+00 -0.105874D+01  0.239848D+01 -0.935765D+00
               126           127           128           129           130 
      1   0.239848D+01  0.115772D+01 -0.546030D+00 -0.104416D+01 -0.129965D+01
      2  -0.935765D+00 -0.546030D+00  0.268519D+00  0.121649D+00  0.676198D+00
      3   0.174621D+01 -0.104416D+01  0.121649D+00  0.981550D+00  0.465699D+00
               131           132           133           134           135 
      1   0.676198D+00  0.465699D+00 -0.224896D+01  0.156316D+00  0.249930D+01
      2  -0.275080D+00 -0.114044D+01  0.156316D+00 -0.140753D+01 -0.992931D+00
      3  -0.114044D+01 -0.156613D+01  0.249930D+01 -0.992931D+00 -0.714581D+01
               136           137           138           139           140 
      1   0.546052D+00  0.130848D+01  0.342040D+00  0.254760D+01  0.206008D+01
      2   0.130848D+01  0.126015D+01 -0.490487D-01  0.206008D+01  0.785107D+01
      3   0.342040D+00 -0.490487D-01  0.298919D+00 -0.159320D+00 -0.406585D-01
               141           142           143           144           145 
      1  -0.159320D+00  0.632857D+00  0.821391D-02  0.724201D+00 -0.548530D+01
      2  -0.406585D-01  0.821391D-02  0.223643D+00  0.777956D+00 -0.203692D+01
      3   0.899845D+00  0.724201D+00  0.777956D+00 -0.411821D+00  0.174159D+01
               146           147           148           149           150 
      1  -0.203692D+01  0.174159D+01 -0.134998D+01 -0.183148D+01  0.647337D+00
      2  -0.281605D+01  0.863376D+00 -0.183148D+01 -0.184486D+01  0.929479D+00
      3   0.863376D+00 -0.137442D+01  0.647337D+00  0.929479D+00 -0.950372D+00
               151           152           153           154           155 
      1   0.188539D+01  0.791113D+00 -0.126789D+01 -0.198159D+00 -0.934541D+00
      2   0.791113D+00  0.154762D+01 -0.140422D+01 -0.934541D+00  0.215920D+00
      3  -0.126789D+01 -0.140422D+01  0.120948D+01 -0.625760D+00  0.345996D-01
               156           157           158           159           160 
      1  -0.625760D+00 -0.596387D+00  0.134699D+00  0.157626D-01 -0.102350D+01
      2   0.345996D-01  0.134699D+00 -0.169852D+01 -0.157876D+01  0.108625D+00
      3   0.117482D+00  0.157626D-01 -0.157876D+01 -0.162471D+01  0.193178D+00
               161           162           163           164           165 
      1   0.108625D+00  0.193178D+00  0.460646D+01 -0.314165D+01  0.200228D+01
      2  -0.309895D+01 -0.269585D+01 -0.314165D+01  0.348598D+01 -0.122888D+01
      3  -0.269585D+01 -0.603075D+01  0.200228D+01 -0.122888D+01  0.161193D+01
               166           167           168           169           170 
      1  -0.219379D+01  0.239587D+01 -0.854378D+00  0.226821D+01 -0.122073D+01
      2   0.239587D+01 -0.330939D+01  0.138502D+01 -0.122073D+01  0.212499D+01
      3  -0.854378D+00  0.138502D+01 -0.125520D+01  0.157190D+01 -0.187609D+01
               171 
      1   0.157190D+01
      2  -0.187609D+01
      3   0.162816D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.688337D+01  0.519625D+00 -0.922565D-01  0.114558D+00 -0.349611D+01
      2  -0.433918D+01 -0.135476D+00  0.244250D+01 -0.366958D+00  0.351825D+00
      3  -0.819355D+01 -0.127453D+02  0.768219D+01 -0.567332D+01  0.620956D+01
                 6             7             8             9            10 
      1   0.414466D+01 -0.588790D+00  0.113222D+02  0.972656D+01  0.259298D-01
      2   0.279751D+01 -0.138056D+01  0.359002D+01  0.475277D+01  0.407715D+01
      3  -0.479865D+00  0.831282D+01 -0.484145D+00 -0.363010D+01  0.581009D+01
                11            12            13            14            15 
      1   0.108209D+00  0.182774D+00 -0.430670D+00  0.223977D+01 -0.365332D+01
      2  -0.145920D+00  0.373830D+01 -0.103708D+01 -0.282253D+00 -0.318787D+01
      3  -0.452514D+01 -0.452387D+00  0.234665D+01 -0.660285D+01  0.446764D+00
                16            17            18            19            20 
      1   0.342807D-01  0.332459D+01 -0.280783D+01 -0.160020D+01 -0.131977D+01
      2  -0.313777D+01 -0.364066D+01 -0.949024D+01  0.231774D+01 -0.809476D+00
      3   0.172081D+01 -0.476465D+00  0.351838D+01  0.112160D+01 -0.421203D+01
                21            22            23            24            25 
      1  -0.191688D+00 -0.273592D+00  0.358999D+01 -0.133538D+01  0.377257D+00
      2   0.250708D+01  0.863488D+00 -0.236442D+01  0.111470D+01 -0.757006D+01
      3   0.988490D+00  0.244461D+01 -0.340185D+01  0.142364D+01 -0.357092D+01
                26            27            28            29            30 
      1   0.412704D+01 -0.363253D+01  0.360446D+00  0.251709D+01  0.206459D+01
      2   0.274076D+00  0.171865D+00 -0.595928D+01  0.778300D+00 -0.196268D+01
      3   0.140178D+01 -0.696651D+00 -0.100666D+02  0.473477D+01 -0.175419D+01
                31            32            33            34            35 
      1  -0.100613D+00 -0.602275D+01 -0.563788D+01  0.209800D+01 -0.265687D+01
      2   0.356908D+01  0.241172D+01 -0.161701D+01 -0.269020D+01 -0.784642D+00
      3   0.141801D+02  0.769871D+01 -0.250233D+01 -0.711857D+01 -0.708674D+01
                36            37            38            39            40 
      1   0.476300D+01 -0.222109D+01  0.387444D+00 -0.806160D+00 -0.778911D+00
      2   0.934207D+01  0.641091D+01  0.219662D+01  0.192364D+01 -0.100860D+01
      3  -0.167465D+01  0.187086D+01 -0.994889D+00  0.735911D+00  0.210979D+01
                41            42            43            44            45 
      1   0.172529D+01 -0.233222D+01  0.226367D+01  0.522439D+01 -0.262137D+01
      2   0.309942D+01  0.137319D+01 -0.556150D+01  0.954095D+00  0.745322D+01
      3  -0.496862D+01 -0.258516D+01  0.262137D+01 -0.150847D+01 -0.167991D+01
                46            47            48            49            50 
      1   0.503227D+00  0.610452D+00  0.189470D+00  0.147906D+01  0.204582D+01
      2  -0.104840D+02  0.140578D+01 -0.427249D+01  0.226400D+01 -0.145574D+01
      3  -0.879510D+01  0.221092D+01 -0.199801D+01  0.112082D+02  0.180310D+02
                51            52            53            54            55 
      1  -0.297899D+01  0.112983D+01  0.119831D+01 -0.218601D+01 -0.148356D+01
      2   0.705479D+01 -0.130215D+02  0.658111D+01  0.140120D+02  0.146501D+01
      3   0.324428D+00 -0.342728D+01  0.139374D+01 -0.791922D+01  0.660289D+01
                56            57            58            59            60 
      1   0.223491D+01 -0.721589D+01  0.165545D+01 -0.381324D+01 -0.998024D+00
      2   0.611181D+00  0.423881D+01  0.374012D+00  0.166018D+01  0.567491D-01
      3  -0.108558D+02  0.238085D+01  0.235012D+01  0.630012D+01 -0.198004D+01
                61            62            63            64            65 
      1  -0.678821D+01  0.876980D+01  0.696263D+01 -0.754853D-01 -0.390443D+01
      2  -0.106062D+01  0.213176D+00 -0.864717D+00  0.583121D+00  0.127886D+01
      3   0.295213D+01 -0.219504D+01  0.729015D+01  0.209489D+01 -0.722898D+01
                66            67            68            69            70 
      1   0.235474D+00 -0.217501D+00  0.152351D+01 -0.105775D+01 -0.110578D+01
      2   0.797622D+01  0.187538D+00 -0.486029D+01 -0.131491D+01 -0.315171D+01
      3  -0.322664D+00 -0.213686D+01  0.445025D+00  0.445707D+01  0.415079D+01
                71            72            73            74            75 
      1   0.728751D+01 -0.806866D+00  0.103125D+01 -0.436624D+00 -0.281387D-01
      2  -0.220295D+01 -0.159477D+02  0.565592D+00 -0.287956D+00  0.160007D+00
      3   0.703135D+01  0.256471D+01  0.122286D+00 -0.814503D+00 -0.662256D+00
                76            77            78            79            80 
      1  -0.887193D-01  0.793745D+00  0.371747D-01 -0.224733D+00  0.373155D+01
      2  -0.751359D+00  0.180171D+00 -0.286810D+00 -0.350093D+01  0.129207D+00
      3   0.128904D+01  0.146611D+00 -0.118828D+00  0.653229D-01  0.177427D+00
                81            82            83            84            85 
      1   0.381616D+01  0.110931D+01 -0.559574D+00 -0.668972D-01 -0.274010D+00
      2   0.458237D+00  0.125079D+01 -0.551671D+00 -0.539722D-01 -0.136641D+01
      3  -0.408759D+00 -0.124643D+01 -0.597526D+00 -0.121033D+00  0.143578D+01
                86            87            88            89            90 
      1   0.115065D+01 -0.694688D-01 -0.421839D+00  0.410998D+01  0.211691D+01
      2   0.218736D+01  0.185801D+01 -0.405208D+01  0.210975D+01  0.988982D+01
      3  -0.489111D+00 -0.161712D+01  0.259248D+00 -0.204000D+01 -0.154980D+01
                91            92            93            94            95 
      1   0.293196D+01  0.195888D+01 -0.111604D+01  0.169481D+01  0.147133D+01
      2  -0.559093D+01 -0.268460D+01  0.300669D+01 -0.263342D+01 -0.140257D+01
      3   0.227260D+00 -0.390897D+01 -0.506150D+00 -0.697102D+00 -0.270111D+01
                96            97            98            99           100 
      1  -0.522972D+00 -0.115188D+01 -0.283917D+00  0.623909D+00  0.249919D+01
      2   0.145365D+01  0.218142D+01  0.115676D+01 -0.137084D+01 -0.166568D+01
      3   0.342632D+00  0.346236D+00  0.124268D+01 -0.388924D+00 -0.572625D+01
               101           102           103           104           105 
      1  -0.238325D+01  0.400535D+01 -0.218132D+01  0.239357D+01 -0.358040D+01
      2   0.405309D+00  0.444885D+00  0.667200D+00 -0.442838D+00 -0.183757D+00
      3   0.472157D+01 -0.328070D+01  0.665376D+01 -0.496973D+01  0.270289D+01
               106           107           108           109           110 
      1   0.344183D+01 -0.279391D+01  0.434827D+01 -0.965909D+00  0.111131D+01
      2  -0.158073D+01  0.298618D+00 -0.392108D-01  0.597612D+00 -0.829802D-02
      3  -0.570047D+01  0.368445D+01 -0.401353D+01 -0.964306D+00  0.632970D+00
               111           112           113           114           115 
      1   0.307921D+01  0.106411D+01 -0.276784D+01 -0.340340D+01  0.300063D+01
      2  -0.206320D+00  0.254418D+00  0.165248D+00 -0.228393D-01 -0.235988D+01
      3   0.798847D+00  0.176276D+01 -0.141592D+01 -0.130108D+01  0.367972D+01
               116           117           118           119           120 
      1  -0.338033D+01 -0.121605D+02 -0.298828D+00  0.487354D+00  0.259119D+00
      2   0.254677D+00  0.902008D+00  0.738539D+01 -0.207183D+01  0.760247D+01
      3  -0.150499D+01 -0.336767D+01  0.615150D+01 -0.667447D+01  0.259392D+01
               121           122           123           124           125 
      1  -0.113023D+00 -0.490921D+00 -0.668890D+00 -0.203254D+00  0.143841D+01
      2  -0.212175D+01  0.243434D+01 -0.417488D+01  0.589497D+01 -0.304313D+01
      3  -0.463518D+01  0.360996D+01 -0.235968D+01  0.269734D+01 -0.422783D+01
               126           127           128           129           130 
      1   0.683125D-01  0.466658D+00 -0.295667D+00 -0.490711D+00 -0.104842D+00
      2   0.598866D+01 -0.262873D+01  0.186965D+00  0.367374D+01  0.315593D+00
      3   0.343823D+01  0.182760D+01 -0.180387D+01 -0.713405D+00 -0.110346D+01
               131           132           133           134           135 
      1   0.953929D+00 -0.101975D+00 -0.619749D+00  0.349258D+01  0.205711D+01
      2  -0.291548D+01 -0.446320D+01  0.326820D+01 -0.305602D+01 -0.201615D+02
      3   0.991470D+00  0.295614D+01 -0.491380D+00  0.462766D+01  0.399924D+01
               136           137           138           139           140 
      1  -0.342433D+00 -0.353661D+00 -0.559838D+00 -0.216283D+00 -0.169092D+01
      2   0.105243D+01 -0.303724D-03  0.133114D+01 -0.690842D-01  0.346108D+00
      3  -0.353333D+01 -0.293893D+01  0.264341D+00 -0.727827D+00 -0.234968D+02
               141           142           143           144           145 
      1  -0.241942D+01 -0.605056D+00  0.601010D+00  0.236843D+00  0.321038D+01
      2   0.315156D+01  0.572575D+00  0.201432D+01 -0.112298D+01  0.494121D+01
      3  -0.285702D-01  0.406016D+00 -0.580913D+00 -0.136007D+01  0.167250D+02
               146           147           148           149           150 
      1  -0.937852D-01 -0.355381D+01  0.437528D+00  0.112727D+01 -0.253017D+01
      2   0.108045D+01 -0.275467D+00  0.979372D+00  0.166799D+01 -0.351065D+00
      3   0.451254D+01 -0.472916D+01  0.613132D+01  0.488614D+01 -0.241721D+01
               151           152           153           154           155 
      1  -0.280661D+01 -0.964480D+00  0.195441D+01 -0.153837D+01  0.138165D+00
      2  -0.346124D+01 -0.136873D+01  0.102722D+01 -0.932046D+00  0.210389D+00
      3  -0.539546D+01 -0.233873D+01  0.405197D+01  0.199620D+01  0.648027D+00
               156           157           158           159           160 
      1   0.235494D-01  0.165094D+00 -0.315032D+01 -0.519394D+01  0.275916D+00
      2   0.638992D+00 -0.240289D+00 -0.159140D+01 -0.142566D+01 -0.238620D+01
      3   0.116166D+01  0.227442D+01  0.144708D+01  0.154067D+01  0.288541D+01
               161           162           163           164           165 
      1  -0.326652D+01 -0.144620D+02  0.327089D+01 -0.726695D+00  0.408190D+01
      2  -0.261871D+01 -0.617555D+01  0.263027D+00 -0.586215D+00  0.282665D+01
      3   0.332245D+01  0.280141D+01 -0.694727D+01  0.176970D+00 -0.293612D+01
               166           167           168           169           170 
      1  -0.114126D+01  0.154514D+01 -0.343782D+01  0.281711D+01 -0.161876D+01
      2   0.120259D+00  0.810623D+00 -0.183217D+01 -0.293996D+00 -0.178715D+01
      3   0.407899D+01 -0.793561D+00  0.506691D+00 -0.439313D+01 -0.438196D+00
               171 
      1   0.287287D+01
      2   0.186387D+01
      3  -0.974802D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.935425D+01  0.826633D+01 -0.770426D+01  0.624282D+01 -0.116955D+02
      2  -0.133687D+02 -0.865073D+00  0.311574D+01 -0.350500D+00  0.162594D+02
      3   0.401447D+01 -0.740125D+01  0.458852D+01 -0.589232D+01 -0.456384D+01
      4   0.681297D+01 -0.197486D+02  0.149389D+02 -0.167331D+02 -0.122831D+01
      5  -0.724416D+01  0.758793D+01 -0.523077D+01  0.541552D+01 -0.179883D+01
      6   0.184046D+02 -0.264357D+01  0.113333D+01 -0.198195D+01  0.276444D+01
                 6             7             8             9            10 
      1   0.108842D+01 -0.869570D+01  0.185660D+01  0.697772D+01 -0.122211D+02
      2   0.611048D+00  0.281156D+01  0.127097D+01 -0.101843D+02  0.914772D+01
      3  -0.169947D+01  0.588414D+01 -0.312757D+01  0.320657D+01  0.307341D+01
      4  -0.228355D+01  0.142829D+02 -0.414794D+01  0.809215D+01 -0.100973D+02
      5   0.639663D+01 -0.560366D+01  0.795801D+01  0.901545D+01  0.874323D+01
      6  -0.119743D+02  0.179992D+01 -0.163889D+02 -0.161850D+02 -0.327400D+01
                11            12            13            14            15 
      1  -0.111664D+02  0.677124D+01 -0.130278D+02  0.123939D+02  0.218464D+01
      2   0.538999D+01 -0.519953D+01  0.720075D+01 -0.122270D+02  0.138715D+01
      3   0.577642D+01 -0.157171D+01  0.582703D+01 -0.166868D+00 -0.357179D+01
      4   0.627739D+01 -0.989735D+00  0.684742D+01  0.778680D+01  0.597263D-01
      5  -0.504424D+00  0.175103D+01 -0.938356D+00  0.213195D+00 -0.673500D+01
      6   0.758183D+00 -0.595702D+00  0.113199D+01 -0.428487D+00  0.379572D+00
                16            17            18            19            20 
      1   0.112230D+02  0.148265D+01  0.738827D+01 -0.123743D+02 -0.387706D+01
      2  -0.527340D+01  0.286618D+01  0.685566D+01  0.106609D+02  0.457780D+01
      3  -0.594964D+01 -0.434883D+01 -0.142439D+02  0.171340D+01 -0.700745D+00
      4  -0.180428D+01  0.408421D+00 -0.643986D+01 -0.557787D+00  0.307899D+00
      5   0.643534D+01 -0.654412D+01 -0.177831D+02 -0.371048D+01 -0.359302D+00
      6  -0.741067D+00  0.401500D+01 -0.160197D+01 -0.609149D+00 -0.175000D+01
                21            22            23            24            25 
      1  -0.130480D+01  0.359333D+01  0.588500D+01  0.155396D+01 -0.282168D+01
      2  -0.552316D+00 -0.383188D+01 -0.149859D+02  0.186596D+01 -0.926512D+00
      3   0.185712D+01  0.238552D+00  0.910094D+01 -0.341992D+01  0.374820D+01
      4   0.154270D+00 -0.994438D+01 -0.304908D+01 -0.359473D+00  0.283553D+01
      5   0.140674D+01  0.778003D+00 -0.429254D+00  0.191529D+01 -0.896486D-01
      6   0.489628D+00 -0.695148D-01  0.714689D+00 -0.160350D+01  0.105796D+01
                26            27            28            29            30 
      1   0.456446D+01  0.518185D+01 -0.114728D+01  0.539247D+01 -0.108522D+01
      2  -0.300838D+01  0.944142D+01  0.578146D+01 -0.313616D+01 -0.379176D+01
      3  -0.155608D+01 -0.146233D+02 -0.463418D+01 -0.225632D+01  0.487698D+01
      4  -0.140683D+01  0.595123D+00  0.471876D+01 -0.275851D+01 -0.600072D+01
      5   0.157749D+01  0.206931D+01  0.559583D+01 -0.488577D+01 -0.158775D+02
      6   0.254039D+01  0.504951D+01 -0.253687D+01  0.855142D+00 -0.323719D+01
                31            32            33            34            35 
      1   0.814833D+01  0.174441D+01 -0.259298D+01  0.979433D+01 -0.626045D+00
      2  -0.486925D+01 -0.105997D+00  0.484729D+01 -0.563792D+01 -0.541563D+01
      3  -0.327908D+01 -0.163841D+01 -0.225431D+01 -0.415641D+01  0.604168D+01
      4   0.340561D+01 -0.395563D+01 -0.651499D+00 -0.962328D+01  0.505391D+01
      5  -0.106567D+02  0.765823D+00 -0.462738D+01 -0.209846D+02 -0.520013D+00
      6  -0.123081D+01 -0.632060D+01  0.863924D+00 -0.268450D+01 -0.646467D+01
                36            37            38            39            40 
      1  -0.485886D+01 -0.151969D+02 -0.837320D+01  0.708810D+01 -0.108649D+02
      2   0.997725D+01  0.162948D+01  0.276176D+01 -0.509069D+01  0.362108D+01
      3  -0.511839D+01  0.135674D+02  0.561144D+01 -0.199741D+01  0.724379D+01
      4   0.145523D+01 -0.130619D+02 -0.276326D+01  0.339822D+01  0.162441D+01
      5   0.169863D+02  0.731317D+01  0.105480D+01  0.998752D+01  0.436911D+01
      6  -0.198619D+01  0.186756D+01  0.234635D+01  0.151888D+01  0.302692D+01
                41            42            43            44            45 
      1  -0.116544D+02 -0.230454D+01  0.132748D+02  0.115563D+01 -0.326890D+01
      2   0.127306D+02  0.132755D+01 -0.935279D+01  0.507064D+00 -0.887291D+01
      3  -0.107618D+01  0.976985D+00 -0.392205D+01 -0.166269D+01  0.121418D+02
      4   0.739384D+01  0.756271D+01  0.109867D+02  0.950801D+01  0.472694D+01
      5   0.685691D+01  0.529651D+01  0.172745D+02  0.757677D+01  0.204541D+02
      6   0.723341D+01  0.827146D+01  0.414934D+01  0.105358D+02  0.806807D+01
                46            47            48            49            50 
      1  -0.669313D+00  0.201400D+02 -0.203398D+02  0.230959D+02 -0.661696D+01
      2  -0.185134D+00 -0.124319D+02  0.101273D+02 -0.155358D+02 -0.220060D+01
      3   0.854446D+00 -0.770813D+01  0.102125D+02 -0.756011D+01  0.881756D+01
      4   0.198579D+02 -0.559855D+01  0.197682D+01 -0.957519D+01 -0.262277D+02
      5  -0.220669D+02  0.278844D+01 -0.110226D+02  0.343488D+01 -0.398275D+01
      6   0.205301D+00  0.143172D+00  0.902170D+00 -0.646542D+00 -0.215198D+00
                51            52            53            54            55 
      1   0.502347D+01 -0.266915D+02  0.384115D+01 -0.894014D+01  0.149411D+02
      2  -0.470462D+00  0.115924D+02 -0.138598D+00  0.129744D+02 -0.124906D+02
      3  -0.455301D+01  0.150992D+02 -0.370255D+01 -0.403429D+01 -0.245045D+01
      4  -0.232308D+01  0.281974D+01 -0.151095D+01  0.125924D+02  0.717210D+01
      5   0.144371D+02 -0.176916D+02  0.133761D+02  0.256651D+02 -0.102143D+01
      6   0.710932D+00  0.133839D+01 -0.102339D+01 -0.138795D+01  0.574417D+01
                56            57            58            59            60 
      1  -0.781218D+01  0.924324D+00 -0.689161D+01 -0.142714D+02 -0.938745D+00
      2   0.130088D+02 -0.151520D+01  0.126676D+02  0.275807D+02  0.212234D+01
      3  -0.519664D+01  0.590876D+00 -0.577603D+01 -0.133093D+02 -0.118359D+01
      4  -0.436735D+01  0.442269D+01  0.432288D+01  0.141586D+02 -0.280649D+01
      5   0.185040D+01  0.169892D+01  0.171368D+01 -0.195104D+01  0.180500D+01
      6  -0.452368D+01  0.124495D+02 -0.447955D+01  0.368109D+01 -0.107554D+01
                61            62            63            64            65 
      1   0.262783D+01  0.555133D+00  0.383554D+01  0.265452D+02 -0.202305D+01
      2  -0.237803D+01  0.263473D+01 -0.638975D+01 -0.190784D+02 -0.691108D+00
      3  -0.249797D+00 -0.318987D+01  0.255421D+01 -0.746682D+01  0.271416D+01
      4   0.444719D+01 -0.321819D+01  0.105689D+02 -0.719184D+01  0.112709D+02
      5   0.332049D+01  0.350438D+01 -0.151648D+01 -0.202003D+02  0.481163D+01
      6   0.131110D+02 -0.459168D+01 -0.118051D+02  0.159157D+01 -0.341936D+01
                66            67            68            69            70 
      1  -0.898301D+01 -0.574917D+01 -0.138119D+01  0.537136D+00 -0.139608D+02
      2   0.114398D+02  0.402331D+01  0.371538D+01 -0.893835D+00  0.143288D+02
      3  -0.245680D+01  0.172585D+01 -0.233419D+01  0.356699D+00 -0.368002D+00
      4   0.529960D+01  0.107688D+02 -0.592296D+01 -0.861574D+01  0.434021D+01
      5   0.230602D+02  0.421119D+01 -0.100030D+02 -0.265628D+01  0.260505D+02
      6   0.197940D-01 -0.334510D+01  0.244349D+01  0.819856D+01 -0.182336D+01
                71            72            73            74            75 
      1  -0.244647D+01 -0.326982D+01  0.857953D+00  0.106617D+00  0.838307D+00
      2   0.415359D+01 -0.203880D+02 -0.411123D+01  0.534144D-01  0.930453D+00
      3  -0.170712D+01  0.236579D+02  0.325328D+01 -0.160032D+00 -0.176876D+01
      4  -0.105671D+02 -0.737233D+01  0.299248D+00  0.130658D+01 -0.592544D+00
      5  -0.468740D+01 -0.396318D+02 -0.119771D+01  0.213278D+00  0.517168D+01
      6   0.929941D+01  0.364154D+00 -0.804585D+00 -0.620286D+00  0.374241D+00
                76            77            78            79            80 
      1   0.383373D+00 -0.351243D+01 -0.583127D+00  0.363391D+00  0.773471D+00
      2   0.784196D-01  0.605669D+00 -0.196116D+01  0.121904D+01 -0.280093D+01
      3  -0.461793D+00  0.290676D+01  0.254428D+01 -0.158243D+01  0.202746D+01
      4   0.163300D+01 -0.991807D-01 -0.342163D+00 -0.574401D+00 -0.731138D-01
      5   0.205415D+00 -0.720011D+00 -0.643204D+00  0.412392D+01  0.107744D+00
      6  -0.213454D+00  0.213660D+00  0.511259D+01  0.336450D-01  0.382113D+01
                81            82            83            84            85 
      1  -0.153708D+02  0.146634D+01  0.230482D+01  0.259225D+01  0.282165D+01
      2  -0.145334D+02 -0.414248D+01 -0.104132D+01 -0.790227D+00 -0.162634D+01
      3   0.299042D+02  0.267613D+01 -0.126350D+01 -0.180203D+01 -0.119531D+01
      4   0.736883D+00  0.208692D+01  0.650046D+00  0.519478D+00  0.101512D+01
      5  -0.165624D+01  0.164179D+01  0.746775D+00  0.506496D+01  0.466935D+00
      6  -0.553760D+01  0.776114D+00 -0.240359D+00 -0.335300D+00  0.134558D+00
                86            87            88            89            90 
      1  -0.523461D+01 -0.237122D+01  0.346286D+01 -0.165422D+01 -0.158507D+02
      2   0.132229D+01 -0.170519D+01 -0.206714D+01 -0.311558D+01 -0.147493D+02
      3   0.391233D+01  0.407641D+01 -0.139572D+01  0.476979D+01  0.306000D+02
      4   0.753808D+00  0.312032D+01  0.679619D+00  0.345084D+01  0.352643D+01
      5   0.349008D+01  0.343606D+01  0.361024D+01  0.317257D+01  0.181713D+02
      6   0.286892D+01  0.679491D+01  0.131680D+00  0.441948D+01  0.282973D+01
                91            92            93            94            95 
      1   0.393044D+02  0.145414D+02  0.750761D+00  0.921267D+01  0.635012D+01
      2  -0.164501D+02 -0.436651D+01 -0.131879D+01 -0.150500D+01  0.627086D+00
      3  -0.228544D+02 -0.101749D+02  0.568025D+00 -0.770767D+01 -0.697721D+01
      4   0.230741D+02  0.144863D+02  0.146816D+01  0.137526D+02  0.112124D+02
      5   0.731431D+01  0.328412D+01  0.567744D+01  0.225576D+01  0.214635D+01
      6   0.152437D+01  0.168203D+01  0.165092D+01  0.127455D+01  0.118200D+01
                96            97            98            99           100 
      1   0.587258D+00 -0.105621D+02 -0.434038D+01  0.254545D+01 -0.272399D+01
      2  -0.792520D+00  0.314033D+01  0.568815D+00 -0.112971D+01  0.738968D+01
      3   0.205262D+00  0.742180D+01  0.377156D+01 -0.141575D+01 -0.466569D+01
      4   0.658907D+00 -0.718937D+01 -0.458519D+01  0.277296D+01 -0.100336D+02
      5   0.253836D+01  0.398748D+01  0.179070D+01 -0.187237D+00  0.367879D+01
      6   0.167855D+01  0.208745D+01  0.164211D+01 -0.401953D+00 -0.742476D+01
               101           102           103           104           105 
      1   0.767914D+01 -0.296681D+01  0.510346D+01 -0.120898D+02  0.455880D+01
      2  -0.139927D+02  0.439419D+01 -0.954050D+01  0.204751D+02 -0.712829D+01
      3   0.631354D+01 -0.142739D+01  0.443703D+01 -0.838531D+01  0.256949D+01
      4   0.138402D+02 -0.668743D+01  0.109961D+02 -0.113697D+02  0.501518D+01
      5  -0.365642D+01  0.397877D+01 -0.192943D+01  0.299671D+01 -0.175813D+01
      6   0.901634D+01 -0.807499D+01  0.647379D+01 -0.106955D+02  0.864153D+01
               106           107           108           109           110 
      1  -0.377733D+01  0.797791D+01 -0.667858D+01 -0.183855D+01  0.250281D+01
      2   0.437822D+01 -0.991138D+01  0.528522D+01  0.247652D+01 -0.396367D+01
      3  -0.600887D+00  0.193346D+01  0.139335D+01 -0.637969D+00  0.146086D+01
      4  -0.771889D+01  0.723106D+01 -0.679218D+01 -0.118407D+01  0.451273D+01
      5   0.375772D+01 -0.319446D+01  0.362576D+01 -0.110747D+01  0.603396D+00
      6  -0.830750D+01  0.125361D+02 -0.113337D+02  0.141864D+01 -0.341421D+01
               111           112           113           114           115 
      1   0.152478D+01  0.903463D+00 -0.485866D+01 -0.289572D+01  0.109355D+01
      2  -0.205438D+01 -0.162054D+01  0.688296D+01  0.418665D+01 -0.140637D+01
      3   0.529605D+00  0.717078D+00 -0.202430D+01 -0.129093D+01  0.312823D+00
      4   0.145399D+01  0.384594D+01 -0.210272D+01 -0.203369D+01  0.413927D+01
      5   0.203875D+01  0.198389D+00 -0.835141D+00 -0.852599D+00  0.172544D+01
      6  -0.480488D+01 -0.248624D+01  0.509840D+01  0.772187D+01 -0.474959D+01
               116           117           118           119           120 
      1  -0.836170D+01 -0.893109D+01  0.545614D+02 -0.114379D+02  0.166978D+02
      2   0.100218D+02  0.415683D+01 -0.292595D+02  0.567994D+01 -0.962215D+01
      3  -0.166005D+01  0.477427D+01 -0.253019D+02  0.575798D+01 -0.707561D+01
      4  -0.277580D+01 -0.334208D+01 -0.118803D+02  0.105956D+02 -0.366639D+01
      5  -0.911420D+00 -0.172834D+01  0.195379D+02 -0.422464D+01  0.146329D+02
      6   0.111981D+02  0.217596D+02 -0.223062D+00  0.606674D+00 -0.346682D+00
               121           122           123           124           125 
      1  -0.199323D+02  0.888688D+01 -0.419988D+01  0.251393D+02 -0.353002D+01
      2   0.102512D+02 -0.253783D+01  0.199247D+01 -0.149970D+02  0.179137D+01
      3   0.968114D+01 -0.634905D+01  0.220740D+01 -0.101423D+02  0.173865D+01
      4   0.134652D+02 -0.732089D+01  0.541248D+01 -0.465725D+01  0.681413D+01
      5  -0.597979D+01  0.569163D+01 -0.761450D+01  0.193795D+02 -0.633069D+01
      6   0.138106D+01 -0.156005D+01  0.190870D+01 -0.892968D+00  0.216522D+01
               126           127           128           129           130 
      1   0.118746D+02  0.716349D+01 -0.340301D+01 -0.576991D+01 -0.689550D+01
      2  -0.104448D+02 -0.649426D+01  0.232638D+01  0.484198D+01  0.450980D+01
      3  -0.142982D+01 -0.669228D+00  0.107663D+01  0.927932D+00  0.238569D+01
      4  -0.556561D+01 -0.335192D+01  0.271199D+01  0.110912D+01  0.488640D+01
      5   0.139187D+02 -0.713517D+01  0.136441D+01  0.109866D+02  0.358767D+01
      6  -0.103379D+01  0.847269D+00 -0.175908D+00 -0.958836D-01 -0.175206D+01
               131           132           133           134           135 
      1   0.402578D+00 -0.188501D+00 -0.105013D+02 -0.116069D+01  0.966181D+00
      2  -0.468402D+00 -0.211540D+01  0.101108D+02 -0.966095D+00 -0.174533D+02
      3   0.658246D-01  0.230390D+01  0.390427D+00  0.212678D+01  0.164871D+02
      4  -0.188635D+01 -0.641866D+01  0.121870D+01 -0.779821D+01 -0.629791D+01
      5  -0.604497D+01 -0.876590D+01  0.190710D+02 -0.605925D+01 -0.403913D+02
      6   0.249563D+01  0.463350D+01 -0.982991D+00  0.477419D+01  0.210728D+01
               136           137           138           139           140 
      1   0.353057D+01  0.537142D+01  0.222368D+01  0.125631D+02  0.117669D+01
      2   0.120321D+01 -0.251203D+00 -0.117193D+01 -0.359438D+01  0.135673D+02
      3  -0.473378D+01 -0.512022D+01 -0.105175D+01 -0.896875D+01 -0.147440D+02
      4   0.732024D+01  0.117985D+02 -0.321313D+00  0.164670D+02  0.409074D+02
      5   0.199601D+01 -0.532204D+00  0.253937D+01 -0.116231D+01  0.120419D+01
      6  -0.313077D+00 -0.567538D+00  0.771082D+00  0.200444D-01 -0.939131D+00
               141           142           143           144           145 
      1  -0.918796D+00  0.376776D+01 -0.561708D+00  0.933280D+00 -0.746055D+01
      2   0.780302D+00 -0.176710D+01  0.504414D+00 -0.927608D+00  0.763353D+01
      3   0.138494D+00 -0.200066D+01  0.572940D-01 -0.567167D-02 -0.172974D+00
      4   0.122342D+00  0.177409D-02  0.842768D+00  0.382651D+01  0.160450D+02
      5   0.569922D+01  0.522780D+01  0.444591D+01 -0.217675D+01 -0.315250D+01
      6   0.413231D+01  0.135921D+01  0.509737D+01  0.456427D+00 -0.890212D+01
               146           147           148           149           150 
      1  -0.117261D+02  0.560371D+01 -0.787161D+01 -0.888397D+01  0.400777D+01
      2   0.141045D+02 -0.317144D+01  0.980926D+01  0.119472D+02 -0.448740D+01
      3  -0.237842D+01 -0.243227D+01 -0.193764D+01 -0.306319D+01  0.479634D+00
      4   0.783934D+01 -0.615172D+01  0.772166D+01  0.577888D+01 -0.213746D+01
      5  -0.197563D+01  0.260733D+01 -0.124879D+01 -0.982081D+00  0.185811D-02
      6  -0.625700D+01  0.748126D+01 -0.471401D+01 -0.612747D+01  0.647964D+01
               151           152           153           154           155 
      1   0.582294D+01  0.606581D+01 -0.735954D+01 -0.112597D+01 -0.221325D+01
      2  -0.284636D+01 -0.631711D+01  0.353028D+01  0.160290D+01  0.753006D+00
      3  -0.297658D+01  0.251299D+00  0.382926D+01 -0.476929D+00  0.146024D+01
      4  -0.659690D+01 -0.152778D+01  0.281139D+01 -0.164590D+01  0.564275D+01
      5   0.325058D+01 -0.484714D+00 -0.207221D+01 -0.143756D+01  0.590174D+00
      6   0.632249D+01  0.863904D+01 -0.617712D+01  0.238741D+01  0.308619D-01
               156           157           158           159           160 
      1  -0.152488D+01 -0.106363D+01 -0.647982D+01 -0.566200D+01 -0.217013D+01
      2   0.824337D+00  0.230109D-01  0.899663D+01  0.747645D+01  0.105137D+01
      3   0.700544D+00  0.104062D+01 -0.251681D+01 -0.181445D+01  0.111876D+01
      4   0.246429D+01  0.426249D+01 -0.370811D+01 -0.288692D+01  0.432691D+01
      5   0.393660D+01 -0.213610D-01 -0.301451D+01 -0.318350D+01  0.435228D+01
      6  -0.330386D+00 -0.151756D+00  0.905627D+01  0.118649D+02 -0.109638D+01
               161           162           163           164           165 
      1  -0.969792D+01 -0.111159D+02  0.124730D+02 -0.181896D+01  0.283818D+01
      2   0.122104D+02  0.405839D+01  0.335155D+00 -0.914301D+01 -0.482575D+00
      3  -0.251251D+01  0.705753D+01 -0.128081D+02  0.109620D+02 -0.235561D+01
      4  -0.609459D+01 -0.578794D+01 -0.265422D+02  0.233069D+02 -0.110552D+02
      5  -0.574946D+01 -0.124516D+02  0.110836D+02 -0.701643D+01  0.905482D+01
      6   0.155919D+02  0.274884D+02 -0.106793D+02  0.817316D+01 -0.896979D+01
               166           167           168           169           170 
      1  -0.998640D+00 -0.303473D+01  0.195371D+01  0.352357D+01  0.294598D+01
      2  -0.725630D+01  0.135635D+02 -0.472226D+01 -0.106715D+01 -0.601596D+01
      3   0.825494D+01 -0.105287D+02  0.276855D+01 -0.245643D+01  0.306997D+01
      4   0.178179D+02 -0.192805D+02  0.753787D+01 -0.119142D+02  0.103966D+02
      5  -0.469977D+01  0.639668D+01 -0.468949D+01  0.938265D+01 -0.718768D+01
      6   0.625892D+01 -0.972505D+01  0.872321D+01 -0.827228D+01  0.115044D+02
               171 
      1  -0.170041D+01
      2   0.115172D+01
      3   0.548692D+00
      4  -0.101070D+02
      5   0.831979D+01
      6  -0.893223D+01
 Leave Link  716 at Sun Sep 26 20:00:08 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.865798D+02  0.184044D+01 -0.136918D+01
      2   0.184044D+01  0.793110D+02  0.174052D+01
      3  -0.136918D+01  0.174052D+01  0.714628D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.131027D+01  0.745552D-01  0.164937D+01
      2   0.274716D+01 -0.492920D+01  0.233796D+02
      3   0.545522D+01 -0.361137D+02  0.547779D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.787806D+02 -0.170677D+02  0.745440D+01
      2  -0.350179D+02  0.121507D+02 -0.382725D+01
      3  -0.437627D+02  0.491700D+01 -0.362715D+01
      4  -0.242679D+02  0.600630D+02 -0.165300D+02
      5   0.865011D+01 -0.171439D+02  0.329062D+02
      6  -0.544403D+01 -0.148968D+01 -0.105981D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.978054D+00  0.443768D+01 -0.372897D+01  0.376364D+01 -0.107308D+01
      2   0.443768D+01 -0.141391D+01  0.538823D+00 -0.107308D+01 -0.328990D+01
      3  -0.372897D+01  0.538823D+00 -0.288066D+00  0.352453D+00 -0.261767D+00
                 6             7             8             9            10 
      1   0.352453D+00 -0.402123D+01  0.441406D+00 -0.355118D+00  0.424716D+00
      2  -0.261767D+00  0.441406D+00 -0.758801D+00  0.346590D+01 -0.429846D+01
      3   0.279193D+01 -0.355118D+00  0.346590D+01  0.432762D+01  0.233264D+01
                11            12            13            14            15 
      1  -0.429846D+01  0.233264D+01 -0.619549D+01  0.172223D+01 -0.701484D-01
      2   0.203665D+01 -0.180120D+00  0.172223D+01  0.410594D+01 -0.876146D-01
      3  -0.180120D+00  0.822256D+00 -0.701484D-01 -0.876146D-01 -0.230823D+01
                16            17            18            19            20 
      1   0.488833D+01 -0.268364D+00  0.115898D+01 -0.175164D+01  0.521755D+01
      2  -0.268364D+00  0.664740D+00 -0.275629D+01  0.521755D+01 -0.479256D+00
      3   0.115898D+01 -0.275629D+01 -0.744310D+01 -0.106709D+01  0.144182D+00
                21            22            23            24            25 
      1  -0.106709D+01  0.405777D+01 -0.122920D+01  0.279552D+00 -0.438148D+01
      2   0.144182D+00 -0.122920D+01 -0.262469D+01 -0.178749D+00 -0.555893D-01
      3  -0.606375D+00  0.279552D+00 -0.178749D+00  0.130698D+01 -0.883216D+00
                26            27            28            29            30 
      1  -0.555893D-01 -0.883216D+00 -0.279379D+00 -0.226136D+01 -0.347637D+00
      2  -0.171142D+01  0.162130D+01 -0.226136D+01  0.117070D+01  0.844846D+00
      3   0.162130D+01  0.612184D+01 -0.347637D+00  0.844846D+00  0.167863D+01
                31            32            33            34            35 
      1  -0.165816D+01 -0.287215D+00  0.110583D+01 -0.270988D+01  0.626578D+00
      2  -0.287215D+00 -0.104435D+01  0.285621D+00  0.626578D+00 -0.114962D+00
      3   0.110583D+01  0.285621D+00 -0.330041D+00  0.218955D+01 -0.356016D+00
                36            37            38            39            40 
      1   0.218955D+01  0.471582D+01  0.180765D+01 -0.161758D+01  0.136120D+01
      2  -0.356016D+00  0.180765D+01  0.115407D+01 -0.266032D+00  0.799366D+00
      3  -0.397801D+01 -0.161758D+01 -0.266032D+00 -0.174925D+00 -0.622804D+00
                41            42            43            44            45 
      1   0.799366D+00 -0.622804D+00 -0.353475D+01 -0.138066D+01 -0.185172D+01
      2  -0.163363D+01 -0.167320D+01 -0.138066D+01 -0.249859D+01 -0.139758D+01
      3  -0.167320D+01 -0.551259D+00 -0.185172D+01 -0.139758D+01 -0.383715D+01
                46            47            48            49            50 
      1   0.246612D+00  0.343353D+01 -0.323044D+01  0.424763D+01 -0.172374D+01
      2   0.343353D+01 -0.101805D+01  0.343205D+00 -0.172374D+01 -0.561976D+01
      3  -0.323044D+01  0.343205D+00 -0.181085D+01  0.464546D+00 -0.407558D+00
                51            52            53            54            55 
      1   0.464546D+00 -0.501256D+01  0.293682D+00 -0.273471D+01  0.248734D+01
      2  -0.407558D+00  0.293682D+00 -0.554294D+00  0.238626D+01 -0.214842D+01
      3   0.250970D+01 -0.273471D+01  0.238626D+01  0.511223D+01  0.114597D+01
                56            57            58            59            60 
      1  -0.214842D+01  0.114597D+01 -0.957689D+00  0.243453D+01 -0.779219D+00
      2   0.328069D+01 -0.520705D+00  0.243453D+01  0.383250D+01  0.541022D+00
      3  -0.520705D+00  0.239022D+01 -0.779219D+00  0.541022D+00 -0.137599D+01
                61            62            63            64            65 
      1   0.174602D+01 -0.101890D+01  0.247311D+01 -0.523078D+01  0.768360D+00
      2  -0.101890D+01  0.605545D+00 -0.145821D+01  0.768360D+00 -0.175851D+01
      3   0.247311D+01 -0.145821D+01 -0.289242D+01  0.327079D+01 -0.691028D+00
                66            67            68            69            70 
      1   0.327079D+01  0.149718D+01 -0.132285D+01 -0.576633D+00  0.572932D+01
      2  -0.691028D+00 -0.132285D+01  0.204307D+01  0.202671D+01 -0.209789D-01
      3  -0.271691D+01 -0.576633D+00  0.202671D+01  0.773607D+00 -0.327980D+01
                71            72            73            74            75 
      1  -0.209789D-01 -0.327980D+01  0.567179D+00 -0.693269D+00 -0.103351D+01
      2   0.317794D+01  0.955929D+00 -0.693269D+00  0.358899D+00  0.281034D-01
      3   0.955929D+00  0.864962D+01 -0.103351D+01  0.281034D-01  0.836684D+00
                76            77            78            79            80 
      1  -0.969536D+00  0.236492D+00 -0.146309D-01 -0.126228D+01  0.998007D-01
      2   0.236492D+00  0.641572D-01 -0.106809D+01  0.998007D-01 -0.140577D+01
      3  -0.146309D-01 -0.106809D+01 -0.657666D+00  0.308103D+00 -0.293108D+00
                81            82            83            84            85 
      1   0.308103D+00 -0.178485D+00  0.976613D+00  0.850687D+00  0.115853D+01
      2  -0.293108D+00  0.976613D+00 -0.400014D+00  0.302191D-01 -0.287064D+00
      3  -0.736986D+01  0.850687D+00  0.302191D-01 -0.188151D+00  0.244790D-01
                86            87            88            89            90 
      1  -0.287064D+00  0.244790D-01  0.126743D+01 -0.188093D-01 -0.154724D-01
      2   0.362154D+00  0.141814D+01 -0.188093D-01  0.182982D+01  0.129073D+01
      3   0.141814D+01  0.144721D+01 -0.154724D-01  0.129073D+01  0.786235D+01
                91            92            93            94            95 
      1  -0.770942D+01 -0.338804D+01 -0.486679D+00 -0.274784D+01 -0.195198D+01
      2  -0.338804D+01 -0.255230D+01 -0.280862D+00 -0.195198D+01 -0.193795D+01
      3  -0.486679D+00 -0.280862D+00 -0.117712D+01 -0.994585D-01 -0.286697D+00
                96            97            98            99           100 
      1  -0.994585D-01  0.218767D+01  0.103907D+01 -0.696871D+00 -0.197661D+01
      2  -0.286697D+00  0.103907D+01  0.626870D+00 -0.352538D+00  0.246557D+01
      3  -0.554199D+00 -0.696871D+00 -0.352538D+00 -0.520213D-01 -0.129277D+01
               101           102           103           104           105 
      1   0.246557D+01 -0.129277D+01  0.193967D+01 -0.220178D+01  0.988975D+00
      2  -0.326206D+01  0.137083D+01 -0.220178D+01  0.443007D+01 -0.158250D+01
      3   0.137083D+01 -0.133463D+01  0.988975D+00 -0.158250D+01  0.133512D+01
               106           107           108           109           110 
      1  -0.197098D+01  0.153715D+01 -0.150786D+01 -0.232893D+00  0.784776D+00
      2   0.153715D+01 -0.298273D+01  0.201311D+01  0.784776D+00 -0.860791D+00
      3  -0.150786D+01  0.201311D+01 -0.213272D+01  0.339828D+00 -0.557532D+00
               111           112           113           114           115 
      1   0.339828D+00  0.677632D+00 -0.359232D+00 -0.465136D+00  0.127030D+01
      2  -0.557532D+00 -0.359232D+00  0.144948D+01  0.924150D+00 -0.461173D+00
      3  -0.860500D+00 -0.465136D+00  0.924150D+00  0.116814D+01 -0.924134D+00
               116           117           118           119           120 
      1  -0.461173D+00 -0.924134D+00  0.731272D+01 -0.175153D+01  0.244875D+01
      2   0.268016D+01  0.200740D+01 -0.175153D+01  0.132938D+01 -0.545623D+00
      3   0.200740D+01  0.463613D+01  0.244875D+01 -0.545623D+00  0.179428D+01
               121           122           123           124           125 
      1  -0.328233D+01  0.180816D+01 -0.702907D+00  0.429008D+01 -0.656754D+00
      2   0.180816D+01 -0.860341D+00  0.795882D+00 -0.656754D+00  0.105172D+01
      3  -0.702907D+00  0.795882D+00 -0.105874D+01  0.239848D+01 -0.935765D+00
               126           127           128           129           130 
      1   0.239848D+01  0.115772D+01 -0.546030D+00 -0.104416D+01 -0.129965D+01
      2  -0.935765D+00 -0.546030D+00  0.268519D+00  0.121649D+00  0.676198D+00
      3   0.174621D+01 -0.104416D+01  0.121649D+00  0.981550D+00  0.465699D+00
               131           132           133           134           135 
      1   0.676198D+00  0.465699D+00 -0.224896D+01  0.156316D+00  0.249930D+01
      2  -0.275080D+00 -0.114044D+01  0.156316D+00 -0.140753D+01 -0.992931D+00
      3  -0.114044D+01 -0.156613D+01  0.249930D+01 -0.992931D+00 -0.714581D+01
               136           137           138           139           140 
      1   0.546052D+00  0.130848D+01  0.342040D+00  0.254760D+01  0.206008D+01
      2   0.130848D+01  0.126015D+01 -0.490487D-01  0.206008D+01  0.785107D+01
      3   0.342040D+00 -0.490487D-01  0.298919D+00 -0.159320D+00 -0.406585D-01
               141           142           143           144           145 
      1  -0.159320D+00  0.632857D+00  0.821391D-02  0.724201D+00 -0.548530D+01
      2  -0.406585D-01  0.821391D-02  0.223643D+00  0.777956D+00 -0.203692D+01
      3   0.899845D+00  0.724201D+00  0.777956D+00 -0.411821D+00  0.174159D+01
               146           147           148           149           150 
      1  -0.203692D+01  0.174159D+01 -0.134998D+01 -0.183148D+01  0.647337D+00
      2  -0.281605D+01  0.863376D+00 -0.183148D+01 -0.184486D+01  0.929479D+00
      3   0.863376D+00 -0.137442D+01  0.647337D+00  0.929479D+00 -0.950372D+00
               151           152           153           154           155 
      1   0.188539D+01  0.791113D+00 -0.126789D+01 -0.198159D+00 -0.934541D+00
      2   0.791113D+00  0.154762D+01 -0.140422D+01 -0.934541D+00  0.215920D+00
      3  -0.126789D+01 -0.140422D+01  0.120948D+01 -0.625760D+00  0.345996D-01
               156           157           158           159           160 
      1  -0.625760D+00 -0.596387D+00  0.134699D+00  0.157626D-01 -0.102350D+01
      2   0.345996D-01  0.134699D+00 -0.169852D+01 -0.157876D+01  0.108625D+00
      3   0.117482D+00  0.157626D-01 -0.157876D+01 -0.162471D+01  0.193178D+00
               161           162           163           164           165 
      1   0.108625D+00  0.193178D+00  0.460646D+01 -0.314165D+01  0.200228D+01
      2  -0.309895D+01 -0.269585D+01 -0.314165D+01  0.348598D+01 -0.122888D+01
      3  -0.269585D+01 -0.603075D+01  0.200228D+01 -0.122888D+01  0.161193D+01
               166           167           168           169           170 
      1  -0.219379D+01  0.239587D+01 -0.854378D+00  0.226821D+01 -0.122073D+01
      2   0.239587D+01 -0.330939D+01  0.138502D+01 -0.122073D+01  0.212499D+01
      3  -0.854378D+00  0.138502D+01 -0.125520D+01  0.157190D+01 -0.187609D+01
               171 
      1   0.157190D+01
      2  -0.187609D+01
      3   0.162816D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.688337D+01  0.519625D+00 -0.922565D-01  0.114558D+00 -0.349611D+01
      2  -0.433918D+01 -0.135476D+00  0.244250D+01 -0.366958D+00  0.351825D+00
      3  -0.819355D+01 -0.127453D+02  0.768219D+01 -0.567332D+01  0.620956D+01
                 6             7             8             9            10 
      1   0.414466D+01 -0.588790D+00  0.113222D+02  0.972656D+01  0.259298D-01
      2   0.279751D+01 -0.138056D+01  0.359002D+01  0.475277D+01  0.407715D+01
      3  -0.479865D+00  0.831282D+01 -0.484145D+00 -0.363010D+01  0.581009D+01
                11            12            13            14            15 
      1   0.108209D+00  0.182774D+00 -0.430670D+00  0.223977D+01 -0.365332D+01
      2  -0.145920D+00  0.373830D+01 -0.103708D+01 -0.282253D+00 -0.318787D+01
      3  -0.452514D+01 -0.452387D+00  0.234665D+01 -0.660285D+01  0.446764D+00
                16            17            18            19            20 
      1   0.342807D-01  0.332459D+01 -0.280783D+01 -0.160020D+01 -0.131977D+01
      2  -0.313777D+01 -0.364066D+01 -0.949024D+01  0.231774D+01 -0.809476D+00
      3   0.172081D+01 -0.476465D+00  0.351838D+01  0.112160D+01 -0.421203D+01
                21            22            23            24            25 
      1  -0.191688D+00 -0.273592D+00  0.358999D+01 -0.133538D+01  0.377257D+00
      2   0.250708D+01  0.863488D+00 -0.236442D+01  0.111470D+01 -0.757006D+01
      3   0.988490D+00  0.244461D+01 -0.340185D+01  0.142364D+01 -0.357092D+01
                26            27            28            29            30 
      1   0.412704D+01 -0.363253D+01  0.360446D+00  0.251709D+01  0.206459D+01
      2   0.274076D+00  0.171865D+00 -0.595928D+01  0.778300D+00 -0.196268D+01
      3   0.140178D+01 -0.696651D+00 -0.100666D+02  0.473477D+01 -0.175419D+01
                31            32            33            34            35 
      1  -0.100613D+00 -0.602275D+01 -0.563788D+01  0.209800D+01 -0.265687D+01
      2   0.356908D+01  0.241172D+01 -0.161701D+01 -0.269020D+01 -0.784642D+00
      3   0.141801D+02  0.769871D+01 -0.250233D+01 -0.711857D+01 -0.708674D+01
                36            37            38            39            40 
      1   0.476300D+01 -0.222109D+01  0.387444D+00 -0.806160D+00 -0.778911D+00
      2   0.934207D+01  0.641091D+01  0.219662D+01  0.192364D+01 -0.100860D+01
      3  -0.167465D+01  0.187086D+01 -0.994889D+00  0.735911D+00  0.210979D+01
                41            42            43            44            45 
      1   0.172529D+01 -0.233222D+01  0.226367D+01  0.522439D+01 -0.262137D+01
      2   0.309942D+01  0.137319D+01 -0.556150D+01  0.954095D+00  0.745322D+01
      3  -0.496862D+01 -0.258516D+01  0.262137D+01 -0.150847D+01 -0.167991D+01
                46            47            48            49            50 
      1   0.503227D+00  0.610452D+00  0.189470D+00  0.147906D+01  0.204582D+01
      2  -0.104840D+02  0.140578D+01 -0.427249D+01  0.226400D+01 -0.145574D+01
      3  -0.879510D+01  0.221092D+01 -0.199801D+01  0.112082D+02  0.180310D+02
                51            52            53            54            55 
      1  -0.297899D+01  0.112983D+01  0.119831D+01 -0.218601D+01 -0.148356D+01
      2   0.705479D+01 -0.130215D+02  0.658111D+01  0.140120D+02  0.146501D+01
      3   0.324428D+00 -0.342728D+01  0.139374D+01 -0.791922D+01  0.660289D+01
                56            57            58            59            60 
      1   0.223491D+01 -0.721589D+01  0.165545D+01 -0.381324D+01 -0.998024D+00
      2   0.611181D+00  0.423881D+01  0.374012D+00  0.166018D+01  0.567491D-01
      3  -0.108558D+02  0.238085D+01  0.235012D+01  0.630012D+01 -0.198004D+01
                61            62            63            64            65 
      1  -0.678821D+01  0.876980D+01  0.696263D+01 -0.754853D-01 -0.390443D+01
      2  -0.106062D+01  0.213176D+00 -0.864717D+00  0.583121D+00  0.127886D+01
      3   0.295213D+01 -0.219504D+01  0.729015D+01  0.209489D+01 -0.722898D+01
                66            67            68            69            70 
      1   0.235474D+00 -0.217501D+00  0.152351D+01 -0.105775D+01 -0.110578D+01
      2   0.797622D+01  0.187538D+00 -0.486029D+01 -0.131491D+01 -0.315171D+01
      3  -0.322664D+00 -0.213686D+01  0.445025D+00  0.445707D+01  0.415079D+01
                71            72            73            74            75 
      1   0.728751D+01 -0.806866D+00  0.103125D+01 -0.436624D+00 -0.281387D-01
      2  -0.220295D+01 -0.159477D+02  0.565592D+00 -0.287956D+00  0.160007D+00
      3   0.703135D+01  0.256471D+01  0.122286D+00 -0.814503D+00 -0.662256D+00
                76            77            78            79            80 
      1  -0.887193D-01  0.793745D+00  0.371747D-01 -0.224733D+00  0.373155D+01
      2  -0.751359D+00  0.180171D+00 -0.286810D+00 -0.350093D+01  0.129207D+00
      3   0.128904D+01  0.146611D+00 -0.118828D+00  0.653229D-01  0.177427D+00
                81            82            83            84            85 
      1   0.381616D+01  0.110931D+01 -0.559574D+00 -0.668972D-01 -0.274010D+00
      2   0.458237D+00  0.125079D+01 -0.551671D+00 -0.539722D-01 -0.136641D+01
      3  -0.408759D+00 -0.124643D+01 -0.597526D+00 -0.121033D+00  0.143578D+01
                86            87            88            89            90 
      1   0.115065D+01 -0.694688D-01 -0.421839D+00  0.410998D+01  0.211691D+01
      2   0.218736D+01  0.185801D+01 -0.405208D+01  0.210975D+01  0.988982D+01
      3  -0.489111D+00 -0.161712D+01  0.259248D+00 -0.204000D+01 -0.154980D+01
                91            92            93            94            95 
      1   0.293196D+01  0.195888D+01 -0.111604D+01  0.169481D+01  0.147133D+01
      2  -0.559093D+01 -0.268460D+01  0.300669D+01 -0.263342D+01 -0.140257D+01
      3   0.227260D+00 -0.390897D+01 -0.506150D+00 -0.697102D+00 -0.270111D+01
                96            97            98            99           100 
      1  -0.522972D+00 -0.115188D+01 -0.283917D+00  0.623909D+00  0.249919D+01
      2   0.145365D+01  0.218142D+01  0.115676D+01 -0.137084D+01 -0.166568D+01
      3   0.342632D+00  0.346236D+00  0.124268D+01 -0.388924D+00 -0.572625D+01
               101           102           103           104           105 
      1  -0.238325D+01  0.400535D+01 -0.218132D+01  0.239357D+01 -0.358040D+01
      2   0.405309D+00  0.444885D+00  0.667200D+00 -0.442838D+00 -0.183757D+00
      3   0.472157D+01 -0.328070D+01  0.665376D+01 -0.496973D+01  0.270289D+01
               106           107           108           109           110 
      1   0.344183D+01 -0.279391D+01  0.434827D+01 -0.965909D+00  0.111131D+01
      2  -0.158073D+01  0.298618D+00 -0.392108D-01  0.597612D+00 -0.829802D-02
      3  -0.570047D+01  0.368445D+01 -0.401353D+01 -0.964306D+00  0.632970D+00
               111           112           113           114           115 
      1   0.307921D+01  0.106411D+01 -0.276784D+01 -0.340340D+01  0.300063D+01
      2  -0.206320D+00  0.254418D+00  0.165248D+00 -0.228393D-01 -0.235988D+01
      3   0.798847D+00  0.176276D+01 -0.141592D+01 -0.130108D+01  0.367972D+01
               116           117           118           119           120 
      1  -0.338033D+01 -0.121605D+02 -0.298828D+00  0.487354D+00  0.259119D+00
      2   0.254677D+00  0.902008D+00  0.738539D+01 -0.207183D+01  0.760247D+01
      3  -0.150499D+01 -0.336767D+01  0.615150D+01 -0.667447D+01  0.259392D+01
               121           122           123           124           125 
      1  -0.113023D+00 -0.490921D+00 -0.668890D+00 -0.203254D+00  0.143841D+01
      2  -0.212175D+01  0.243434D+01 -0.417488D+01  0.589497D+01 -0.304313D+01
      3  -0.463518D+01  0.360996D+01 -0.235968D+01  0.269734D+01 -0.422783D+01
               126           127           128           129           130 
      1   0.683125D-01  0.466658D+00 -0.295667D+00 -0.490711D+00 -0.104842D+00
      2   0.598866D+01 -0.262873D+01  0.186965D+00  0.367374D+01  0.315593D+00
      3   0.343823D+01  0.182760D+01 -0.180387D+01 -0.713405D+00 -0.110346D+01
               131           132           133           134           135 
      1   0.953929D+00 -0.101975D+00 -0.619749D+00  0.349258D+01  0.205711D+01
      2  -0.291548D+01 -0.446320D+01  0.326820D+01 -0.305602D+01 -0.201615D+02
      3   0.991470D+00  0.295614D+01 -0.491380D+00  0.462766D+01  0.399924D+01
               136           137           138           139           140 
      1  -0.342433D+00 -0.353661D+00 -0.559838D+00 -0.216283D+00 -0.169092D+01
      2   0.105243D+01 -0.303724D-03  0.133114D+01 -0.690842D-01  0.346108D+00
      3  -0.353333D+01 -0.293893D+01  0.264341D+00 -0.727827D+00 -0.234968D+02
               141           142           143           144           145 
      1  -0.241942D+01 -0.605056D+00  0.601010D+00  0.236843D+00  0.321038D+01
      2   0.315156D+01  0.572575D+00  0.201432D+01 -0.112298D+01  0.494121D+01
      3  -0.285702D-01  0.406016D+00 -0.580913D+00 -0.136007D+01  0.167250D+02
               146           147           148           149           150 
      1  -0.937852D-01 -0.355381D+01  0.437528D+00  0.112727D+01 -0.253017D+01
      2   0.108045D+01 -0.275467D+00  0.979372D+00  0.166799D+01 -0.351065D+00
      3   0.451254D+01 -0.472916D+01  0.613132D+01  0.488614D+01 -0.241721D+01
               151           152           153           154           155 
      1  -0.280661D+01 -0.964480D+00  0.195441D+01 -0.153837D+01  0.138165D+00
      2  -0.346124D+01 -0.136873D+01  0.102722D+01 -0.932046D+00  0.210389D+00
      3  -0.539546D+01 -0.233873D+01  0.405197D+01  0.199620D+01  0.648027D+00
               156           157           158           159           160 
      1   0.235494D-01  0.165094D+00 -0.315032D+01 -0.519394D+01  0.275916D+00
      2   0.638992D+00 -0.240289D+00 -0.159140D+01 -0.142566D+01 -0.238620D+01
      3   0.116166D+01  0.227442D+01  0.144708D+01  0.154067D+01  0.288541D+01
               161           162           163           164           165 
      1  -0.326652D+01 -0.144620D+02  0.327089D+01 -0.726695D+00  0.408190D+01
      2  -0.261871D+01 -0.617555D+01  0.263027D+00 -0.586215D+00  0.282665D+01
      3   0.332245D+01  0.280141D+01 -0.694727D+01  0.176970D+00 -0.293612D+01
               166           167           168           169           170 
      1  -0.114126D+01  0.154514D+01 -0.343782D+01  0.281711D+01 -0.161876D+01
      2   0.120259D+00  0.810623D+00 -0.183217D+01 -0.293996D+00 -0.178715D+01
      3   0.407899D+01 -0.793561D+00  0.506691D+00 -0.439313D+01 -0.438196D+00
               171 
      1   0.287287D+01
      2   0.186387D+01
      3  -0.974802D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.935425D+01  0.826633D+01 -0.770426D+01  0.624282D+01 -0.116955D+02
      2  -0.133687D+02 -0.865073D+00  0.311574D+01 -0.350500D+00  0.162594D+02
      3   0.401447D+01 -0.740125D+01  0.458852D+01 -0.589232D+01 -0.456384D+01
      4   0.681297D+01 -0.197486D+02  0.149389D+02 -0.167331D+02 -0.122831D+01
      5  -0.724416D+01  0.758793D+01 -0.523077D+01  0.541552D+01 -0.179883D+01
      6   0.184046D+02 -0.264357D+01  0.113333D+01 -0.198195D+01  0.276444D+01
                 6             7             8             9            10 
      1   0.108842D+01 -0.869570D+01  0.185660D+01  0.697772D+01 -0.122211D+02
      2   0.611048D+00  0.281156D+01  0.127097D+01 -0.101843D+02  0.914772D+01
      3  -0.169947D+01  0.588414D+01 -0.312757D+01  0.320657D+01  0.307341D+01
      4  -0.228355D+01  0.142829D+02 -0.414794D+01  0.809215D+01 -0.100973D+02
      5   0.639663D+01 -0.560366D+01  0.795801D+01  0.901545D+01  0.874323D+01
      6  -0.119743D+02  0.179992D+01 -0.163889D+02 -0.161850D+02 -0.327400D+01
                11            12            13            14            15 
      1  -0.111664D+02  0.677124D+01 -0.130278D+02  0.123939D+02  0.218464D+01
      2   0.538999D+01 -0.519953D+01  0.720075D+01 -0.122270D+02  0.138715D+01
      3   0.577642D+01 -0.157171D+01  0.582703D+01 -0.166868D+00 -0.357179D+01
      4   0.627739D+01 -0.989735D+00  0.684742D+01  0.778680D+01  0.597263D-01
      5  -0.504424D+00  0.175103D+01 -0.938356D+00  0.213195D+00 -0.673500D+01
      6   0.758183D+00 -0.595702D+00  0.113199D+01 -0.428487D+00  0.379572D+00
                16            17            18            19            20 
      1   0.112230D+02  0.148265D+01  0.738827D+01 -0.123743D+02 -0.387706D+01
      2  -0.527340D+01  0.286618D+01  0.685566D+01  0.106609D+02  0.457780D+01
      3  -0.594964D+01 -0.434883D+01 -0.142439D+02  0.171340D+01 -0.700745D+00
      4  -0.180428D+01  0.408421D+00 -0.643986D+01 -0.557787D+00  0.307899D+00
      5   0.643534D+01 -0.654412D+01 -0.177831D+02 -0.371048D+01 -0.359302D+00
      6  -0.741067D+00  0.401500D+01 -0.160197D+01 -0.609149D+00 -0.175000D+01
                21            22            23            24            25 
      1  -0.130480D+01  0.359333D+01  0.588500D+01  0.155396D+01 -0.282168D+01
      2  -0.552316D+00 -0.383188D+01 -0.149859D+02  0.186596D+01 -0.926512D+00
      3   0.185712D+01  0.238552D+00  0.910094D+01 -0.341992D+01  0.374820D+01
      4   0.154270D+00 -0.994438D+01 -0.304908D+01 -0.359473D+00  0.283553D+01
      5   0.140674D+01  0.778003D+00 -0.429254D+00  0.191529D+01 -0.896486D-01
      6   0.489628D+00 -0.695148D-01  0.714689D+00 -0.160350D+01  0.105796D+01
                26            27            28            29            30 
      1   0.456446D+01  0.518185D+01 -0.114728D+01  0.539247D+01 -0.108522D+01
      2  -0.300838D+01  0.944142D+01  0.578146D+01 -0.313616D+01 -0.379176D+01
      3  -0.155608D+01 -0.146233D+02 -0.463418D+01 -0.225632D+01  0.487698D+01
      4  -0.140683D+01  0.595123D+00  0.471876D+01 -0.275851D+01 -0.600072D+01
      5   0.157749D+01  0.206931D+01  0.559583D+01 -0.488577D+01 -0.158775D+02
      6   0.254039D+01  0.504951D+01 -0.253687D+01  0.855142D+00 -0.323719D+01
                31            32            33            34            35 
      1   0.814833D+01  0.174441D+01 -0.259298D+01  0.979433D+01 -0.626045D+00
      2  -0.486925D+01 -0.105997D+00  0.484729D+01 -0.563792D+01 -0.541563D+01
      3  -0.327908D+01 -0.163841D+01 -0.225431D+01 -0.415641D+01  0.604168D+01
      4   0.340561D+01 -0.395563D+01 -0.651499D+00 -0.962328D+01  0.505391D+01
      5  -0.106567D+02  0.765823D+00 -0.462738D+01 -0.209846D+02 -0.520013D+00
      6  -0.123081D+01 -0.632060D+01  0.863924D+00 -0.268450D+01 -0.646467D+01
                36            37            38            39            40 
      1  -0.485886D+01 -0.151969D+02 -0.837320D+01  0.708810D+01 -0.108649D+02
      2   0.997725D+01  0.162948D+01  0.276176D+01 -0.509069D+01  0.362108D+01
      3  -0.511839D+01  0.135674D+02  0.561144D+01 -0.199741D+01  0.724379D+01
      4   0.145523D+01 -0.130619D+02 -0.276326D+01  0.339822D+01  0.162441D+01
      5   0.169863D+02  0.731317D+01  0.105480D+01  0.998752D+01  0.436911D+01
      6  -0.198619D+01  0.186756D+01  0.234635D+01  0.151888D+01  0.302692D+01
                41            42            43            44            45 
      1  -0.116544D+02 -0.230454D+01  0.132748D+02  0.115563D+01 -0.326890D+01
      2   0.127306D+02  0.132755D+01 -0.935279D+01  0.507064D+00 -0.887291D+01
      3  -0.107618D+01  0.976985D+00 -0.392205D+01 -0.166269D+01  0.121418D+02
      4   0.739384D+01  0.756271D+01  0.109867D+02  0.950801D+01  0.472694D+01
      5   0.685691D+01  0.529651D+01  0.172745D+02  0.757677D+01  0.204541D+02
      6   0.723341D+01  0.827146D+01  0.414934D+01  0.105358D+02  0.806807D+01
                46            47            48            49            50 
      1  -0.669313D+00  0.201400D+02 -0.203398D+02  0.230959D+02 -0.661696D+01
      2  -0.185134D+00 -0.124319D+02  0.101273D+02 -0.155358D+02 -0.220060D+01
      3   0.854446D+00 -0.770813D+01  0.102125D+02 -0.756011D+01  0.881756D+01
      4   0.198579D+02 -0.559855D+01  0.197682D+01 -0.957519D+01 -0.262277D+02
      5  -0.220669D+02  0.278844D+01 -0.110226D+02  0.343488D+01 -0.398275D+01
      6   0.205301D+00  0.143172D+00  0.902170D+00 -0.646542D+00 -0.215198D+00
                51            52            53            54            55 
      1   0.502347D+01 -0.266915D+02  0.384115D+01 -0.894014D+01  0.149411D+02
      2  -0.470462D+00  0.115924D+02 -0.138598D+00  0.129744D+02 -0.124906D+02
      3  -0.455301D+01  0.150992D+02 -0.370255D+01 -0.403429D+01 -0.245045D+01
      4  -0.232308D+01  0.281974D+01 -0.151095D+01  0.125924D+02  0.717210D+01
      5   0.144371D+02 -0.176916D+02  0.133761D+02  0.256651D+02 -0.102143D+01
      6   0.710932D+00  0.133839D+01 -0.102339D+01 -0.138795D+01  0.574417D+01
                56            57            58            59            60 
      1  -0.781218D+01  0.924324D+00 -0.689161D+01 -0.142714D+02 -0.938745D+00
      2   0.130088D+02 -0.151520D+01  0.126676D+02  0.275807D+02  0.212234D+01
      3  -0.519664D+01  0.590876D+00 -0.577603D+01 -0.133093D+02 -0.118359D+01
      4  -0.436735D+01  0.442269D+01  0.432288D+01  0.141586D+02 -0.280649D+01
      5   0.185040D+01  0.169892D+01  0.171368D+01 -0.195104D+01  0.180500D+01
      6  -0.452368D+01  0.124495D+02 -0.447955D+01  0.368109D+01 -0.107554D+01
                61            62            63            64            65 
      1   0.262783D+01  0.555133D+00  0.383554D+01  0.265452D+02 -0.202305D+01
      2  -0.237803D+01  0.263473D+01 -0.638975D+01 -0.190784D+02 -0.691108D+00
      3  -0.249797D+00 -0.318987D+01  0.255421D+01 -0.746682D+01  0.271416D+01
      4   0.444719D+01 -0.321819D+01  0.105689D+02 -0.719184D+01  0.112709D+02
      5   0.332049D+01  0.350438D+01 -0.151648D+01 -0.202003D+02  0.481163D+01
      6   0.131110D+02 -0.459168D+01 -0.118051D+02  0.159157D+01 -0.341936D+01
                66            67            68            69            70 
      1  -0.898301D+01 -0.574917D+01 -0.138119D+01  0.537136D+00 -0.139608D+02
      2   0.114398D+02  0.402331D+01  0.371538D+01 -0.893835D+00  0.143288D+02
      3  -0.245680D+01  0.172585D+01 -0.233419D+01  0.356699D+00 -0.368002D+00
      4   0.529960D+01  0.107688D+02 -0.592296D+01 -0.861574D+01  0.434021D+01
      5   0.230602D+02  0.421119D+01 -0.100030D+02 -0.265628D+01  0.260505D+02
      6   0.197940D-01 -0.334510D+01  0.244349D+01  0.819856D+01 -0.182336D+01
                71            72            73            74            75 
      1  -0.244647D+01 -0.326982D+01  0.857953D+00  0.106617D+00  0.838307D+00
      2   0.415359D+01 -0.203880D+02 -0.411123D+01  0.534144D-01  0.930453D+00
      3  -0.170712D+01  0.236579D+02  0.325328D+01 -0.160032D+00 -0.176876D+01
      4  -0.105671D+02 -0.737233D+01  0.299248D+00  0.130658D+01 -0.592544D+00
      5  -0.468740D+01 -0.396318D+02 -0.119771D+01  0.213278D+00  0.517168D+01
      6   0.929941D+01  0.364154D+00 -0.804585D+00 -0.620286D+00  0.374241D+00
                76            77            78            79            80 
      1   0.383373D+00 -0.351243D+01 -0.583127D+00  0.363391D+00  0.773471D+00
      2   0.784196D-01  0.605669D+00 -0.196116D+01  0.121904D+01 -0.280093D+01
      3  -0.461793D+00  0.290676D+01  0.254428D+01 -0.158243D+01  0.202746D+01
      4   0.163300D+01 -0.991807D-01 -0.342163D+00 -0.574401D+00 -0.731138D-01
      5   0.205415D+00 -0.720011D+00 -0.643204D+00  0.412392D+01  0.107744D+00
      6  -0.213454D+00  0.213660D+00  0.511259D+01  0.336450D-01  0.382113D+01
                81            82            83            84            85 
      1  -0.153708D+02  0.146634D+01  0.230482D+01  0.259225D+01  0.282165D+01
      2  -0.145334D+02 -0.414248D+01 -0.104132D+01 -0.790227D+00 -0.162634D+01
      3   0.299042D+02  0.267613D+01 -0.126350D+01 -0.180203D+01 -0.119531D+01
      4   0.736883D+00  0.208692D+01  0.650046D+00  0.519478D+00  0.101512D+01
      5  -0.165624D+01  0.164179D+01  0.746775D+00  0.506496D+01  0.466935D+00
      6  -0.553760D+01  0.776114D+00 -0.240359D+00 -0.335300D+00  0.134558D+00
                86            87            88            89            90 
      1  -0.523461D+01 -0.237122D+01  0.346286D+01 -0.165422D+01 -0.158507D+02
      2   0.132229D+01 -0.170519D+01 -0.206714D+01 -0.311558D+01 -0.147493D+02
      3   0.391233D+01  0.407641D+01 -0.139572D+01  0.476979D+01  0.306000D+02
      4   0.753808D+00  0.312032D+01  0.679619D+00  0.345084D+01  0.352643D+01
      5   0.349008D+01  0.343606D+01  0.361024D+01  0.317257D+01  0.181713D+02
      6   0.286892D+01  0.679491D+01  0.131680D+00  0.441948D+01  0.282973D+01
                91            92            93            94            95 
      1   0.393044D+02  0.145414D+02  0.750761D+00  0.921267D+01  0.635012D+01
      2  -0.164501D+02 -0.436651D+01 -0.131879D+01 -0.150500D+01  0.627086D+00
      3  -0.228544D+02 -0.101749D+02  0.568025D+00 -0.770767D+01 -0.697721D+01
      4   0.230741D+02  0.144863D+02  0.146816D+01  0.137526D+02  0.112124D+02
      5   0.731431D+01  0.328412D+01  0.567744D+01  0.225576D+01  0.214635D+01
      6   0.152437D+01  0.168203D+01  0.165092D+01  0.127455D+01  0.118200D+01
                96            97            98            99           100 
      1   0.587258D+00 -0.105621D+02 -0.434038D+01  0.254545D+01 -0.272399D+01
      2  -0.792520D+00  0.314033D+01  0.568815D+00 -0.112971D+01  0.738968D+01
      3   0.205262D+00  0.742180D+01  0.377156D+01 -0.141575D+01 -0.466569D+01
      4   0.658907D+00 -0.718937D+01 -0.458519D+01  0.277296D+01 -0.100336D+02
      5   0.253836D+01  0.398748D+01  0.179070D+01 -0.187237D+00  0.367879D+01
      6   0.167855D+01  0.208745D+01  0.164211D+01 -0.401953D+00 -0.742476D+01
               101           102           103           104           105 
      1   0.767914D+01 -0.296681D+01  0.510346D+01 -0.120898D+02  0.455880D+01
      2  -0.139927D+02  0.439419D+01 -0.954050D+01  0.204751D+02 -0.712829D+01
      3   0.631354D+01 -0.142739D+01  0.443703D+01 -0.838531D+01  0.256949D+01
      4   0.138402D+02 -0.668743D+01  0.109961D+02 -0.113697D+02  0.501518D+01
      5  -0.365642D+01  0.397877D+01 -0.192943D+01  0.299671D+01 -0.175813D+01
      6   0.901634D+01 -0.807499D+01  0.647379D+01 -0.106955D+02  0.864153D+01
               106           107           108           109           110 
      1  -0.377733D+01  0.797791D+01 -0.667858D+01 -0.183855D+01  0.250281D+01
      2   0.437822D+01 -0.991138D+01  0.528522D+01  0.247652D+01 -0.396367D+01
      3  -0.600887D+00  0.193346D+01  0.139335D+01 -0.637969D+00  0.146086D+01
      4  -0.771889D+01  0.723106D+01 -0.679218D+01 -0.118407D+01  0.451273D+01
      5   0.375772D+01 -0.319446D+01  0.362576D+01 -0.110747D+01  0.603396D+00
      6  -0.830750D+01  0.125361D+02 -0.113337D+02  0.141864D+01 -0.341421D+01
               111           112           113           114           115 
      1   0.152478D+01  0.903463D+00 -0.485866D+01 -0.289572D+01  0.109355D+01
      2  -0.205438D+01 -0.162054D+01  0.688296D+01  0.418665D+01 -0.140637D+01
      3   0.529605D+00  0.717078D+00 -0.202430D+01 -0.129093D+01  0.312823D+00
      4   0.145399D+01  0.384594D+01 -0.210272D+01 -0.203369D+01  0.413927D+01
      5   0.203875D+01  0.198389D+00 -0.835141D+00 -0.852599D+00  0.172544D+01
      6  -0.480488D+01 -0.248624D+01  0.509840D+01  0.772187D+01 -0.474959D+01
               116           117           118           119           120 
      1  -0.836170D+01 -0.893109D+01  0.545614D+02 -0.114379D+02  0.166978D+02
      2   0.100218D+02  0.415683D+01 -0.292595D+02  0.567994D+01 -0.962215D+01
      3  -0.166005D+01  0.477427D+01 -0.253019D+02  0.575798D+01 -0.707561D+01
      4  -0.277580D+01 -0.334208D+01 -0.118803D+02  0.105956D+02 -0.366639D+01
      5  -0.911420D+00 -0.172834D+01  0.195379D+02 -0.422464D+01  0.146329D+02
      6   0.111981D+02  0.217596D+02 -0.223062D+00  0.606674D+00 -0.346682D+00
               121           122           123           124           125 
      1  -0.199323D+02  0.888688D+01 -0.419988D+01  0.251393D+02 -0.353002D+01
      2   0.102512D+02 -0.253783D+01  0.199247D+01 -0.149970D+02  0.179137D+01
      3   0.968114D+01 -0.634905D+01  0.220740D+01 -0.101423D+02  0.173865D+01
      4   0.134652D+02 -0.732089D+01  0.541248D+01 -0.465725D+01  0.681413D+01
      5  -0.597979D+01  0.569163D+01 -0.761450D+01  0.193795D+02 -0.633069D+01
      6   0.138106D+01 -0.156005D+01  0.190870D+01 -0.892968D+00  0.216522D+01
               126           127           128           129           130 
      1   0.118746D+02  0.716349D+01 -0.340301D+01 -0.576991D+01 -0.689550D+01
      2  -0.104448D+02 -0.649426D+01  0.232638D+01  0.484198D+01  0.450980D+01
      3  -0.142982D+01 -0.669228D+00  0.107663D+01  0.927932D+00  0.238569D+01
      4  -0.556561D+01 -0.335192D+01  0.271199D+01  0.110912D+01  0.488640D+01
      5   0.139187D+02 -0.713517D+01  0.136441D+01  0.109866D+02  0.358767D+01
      6  -0.103379D+01  0.847269D+00 -0.175908D+00 -0.958836D-01 -0.175206D+01
               131           132           133           134           135 
      1   0.402578D+00 -0.188501D+00 -0.105013D+02 -0.116069D+01  0.966181D+00
      2  -0.468402D+00 -0.211540D+01  0.101108D+02 -0.966095D+00 -0.174533D+02
      3   0.658246D-01  0.230390D+01  0.390427D+00  0.212678D+01  0.164871D+02
      4  -0.188635D+01 -0.641866D+01  0.121870D+01 -0.779821D+01 -0.629791D+01
      5  -0.604497D+01 -0.876590D+01  0.190710D+02 -0.605925D+01 -0.403913D+02
      6   0.249563D+01  0.463350D+01 -0.982991D+00  0.477419D+01  0.210728D+01
               136           137           138           139           140 
      1   0.353057D+01  0.537142D+01  0.222368D+01  0.125631D+02  0.117669D+01
      2   0.120321D+01 -0.251203D+00 -0.117193D+01 -0.359438D+01  0.135673D+02
      3  -0.473378D+01 -0.512022D+01 -0.105175D+01 -0.896875D+01 -0.147440D+02
      4   0.732024D+01  0.117985D+02 -0.321313D+00  0.164670D+02  0.409074D+02
      5   0.199601D+01 -0.532204D+00  0.253937D+01 -0.116231D+01  0.120419D+01
      6  -0.313077D+00 -0.567538D+00  0.771082D+00  0.200444D-01 -0.939131D+00
               141           142           143           144           145 
      1  -0.918796D+00  0.376776D+01 -0.561708D+00  0.933280D+00 -0.746055D+01
      2   0.780302D+00 -0.176710D+01  0.504414D+00 -0.927608D+00  0.763353D+01
      3   0.138494D+00 -0.200066D+01  0.572940D-01 -0.567167D-02 -0.172974D+00
      4   0.122342D+00  0.177409D-02  0.842768D+00  0.382651D+01  0.160450D+02
      5   0.569922D+01  0.522780D+01  0.444591D+01 -0.217675D+01 -0.315250D+01
      6   0.413231D+01  0.135921D+01  0.509737D+01  0.456427D+00 -0.890212D+01
               146           147           148           149           150 
      1  -0.117261D+02  0.560371D+01 -0.787161D+01 -0.888397D+01  0.400777D+01
      2   0.141045D+02 -0.317144D+01  0.980926D+01  0.119472D+02 -0.448740D+01
      3  -0.237842D+01 -0.243227D+01 -0.193764D+01 -0.306319D+01  0.479634D+00
      4   0.783934D+01 -0.615172D+01  0.772166D+01  0.577888D+01 -0.213746D+01
      5  -0.197563D+01  0.260733D+01 -0.124879D+01 -0.982081D+00  0.185811D-02
      6  -0.625700D+01  0.748126D+01 -0.471401D+01 -0.612747D+01  0.647964D+01
               151           152           153           154           155 
      1   0.582294D+01  0.606581D+01 -0.735954D+01 -0.112597D+01 -0.221325D+01
      2  -0.284636D+01 -0.631711D+01  0.353028D+01  0.160290D+01  0.753006D+00
      3  -0.297658D+01  0.251299D+00  0.382926D+01 -0.476929D+00  0.146024D+01
      4  -0.659690D+01 -0.152778D+01  0.281139D+01 -0.164590D+01  0.564275D+01
      5   0.325058D+01 -0.484714D+00 -0.207221D+01 -0.143756D+01  0.590174D+00
      6   0.632249D+01  0.863904D+01 -0.617712D+01  0.238741D+01  0.308619D-01
               156           157           158           159           160 
      1  -0.152488D+01 -0.106363D+01 -0.647982D+01 -0.566200D+01 -0.217013D+01
      2   0.824337D+00  0.230109D-01  0.899663D+01  0.747645D+01  0.105137D+01
      3   0.700544D+00  0.104062D+01 -0.251681D+01 -0.181445D+01  0.111876D+01
      4   0.246429D+01  0.426249D+01 -0.370811D+01 -0.288692D+01  0.432691D+01
      5   0.393660D+01 -0.213610D-01 -0.301451D+01 -0.318350D+01  0.435228D+01
      6  -0.330386D+00 -0.151756D+00  0.905627D+01  0.118649D+02 -0.109638D+01
               161           162           163           164           165 
      1  -0.969792D+01 -0.111159D+02  0.124730D+02 -0.181896D+01  0.283818D+01
      2   0.122104D+02  0.405839D+01  0.335155D+00 -0.914301D+01 -0.482575D+00
      3  -0.251251D+01  0.705753D+01 -0.128081D+02  0.109620D+02 -0.235561D+01
      4  -0.609459D+01 -0.578794D+01 -0.265422D+02  0.233069D+02 -0.110552D+02
      5  -0.574946D+01 -0.124516D+02  0.110836D+02 -0.701643D+01  0.905482D+01
      6   0.155919D+02  0.274884D+02 -0.106793D+02  0.817316D+01 -0.896979D+01
               166           167           168           169           170 
      1  -0.998640D+00 -0.303473D+01  0.195371D+01  0.352357D+01  0.294598D+01
      2  -0.725630D+01  0.135635D+02 -0.472226D+01 -0.106715D+01 -0.601596D+01
      3   0.825494D+01 -0.105287D+02  0.276855D+01 -0.245643D+01  0.306997D+01
      4   0.178179D+02 -0.192805D+02  0.753787D+01 -0.119142D+02  0.103966D+02
      5  -0.469977D+01  0.639668D+01 -0.468949D+01  0.938265D+01 -0.718768D+01
      6   0.625892D+01 -0.972505D+01  0.872321D+01 -0.827228D+01  0.115044D+02
               171 
      1  -0.170041D+01
      2   0.115172D+01
      3   0.548692D+00
      4  -0.101070D+02
      5   0.831979D+01
      6  -0.893223D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x         -0.156035D+00     -0.396600D+00     -0.132292D+01
   y         -0.239543D+00     -0.608856D+00     -0.203093D+01
   z         -0.412142D+00     -0.104756D+01     -0.349428D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.826561D+02      0.122484D+02      0.136281D+02
   yx         0.225054D+01      0.333496D+00      0.371065D+00
   yy         0.756861D+02      0.112155D+02      0.124790D+02
   zx        -0.872645D+00     -0.129313D+00     -0.143880D+00
   zy         0.177831D+01      0.263518D+00      0.293203D+00
   zz         0.674213D+02      0.999081D+01      0.111163D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.791179D+02      0.117241D+02      0.130448D+02
   aniso      0.140125D+02      0.207644D+01      0.231035D+01
   xx         0.865798D+02      0.128298D+02      0.142751D+02
   yx         0.184044D+01      0.272725D+00      0.303447D+00
   yy         0.793110D+02      0.117527D+02      0.130766D+02
   zx        -0.136918D+01     -0.202891D+00     -0.225747D+00
   zy         0.174052D+01      0.257919D+00      0.286973D+00
   zz         0.714628D+02      0.105897D+02      0.117826D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.90593186          3.25453438          0.61880130
     6          1.88158911          0.86762348         -1.00881899
     6          0.19017088         -1.22583914          0.12243907
     6         -2.40174390         -0.14745990          0.75559996
     8         -2.73278105          0.24537777          3.25832453
     6          4.55883121         -0.12821430         -1.42067457
     7         -0.00640606         -3.34736487         -1.62753542
     8         -4.01847569          0.31470458         -0.77955007
     1          1.05581436         -1.89619419          1.87100190
     1          1.05865054          1.34533023         -2.84799768
     1         -4.40894597          0.95998834          3.47637343
     1         -0.85606360         -4.84376275         -0.78808298
     1         -1.10707157         -2.84155957         -3.11516570
     1          5.70682207          1.27766173         -2.40069455
     1          5.46784590         -0.53000369          0.39159401
     1          4.54261460         -1.86019460         -2.52912234
     1          0.03910914          4.11499039          0.77550808
     1          2.57642298          2.84101298          2.52770983
     1          3.17103297          4.65977171         -0.20264900

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501586D+00      0.127490D+01      0.425262D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.813922D+02      0.120611D+02      0.134198D+02
   yx        -0.708765D-01     -0.105028D-01     -0.116860D-01
   yy         0.719725D+02      0.106652D+02      0.118667D+02
   zx        -0.414836D+01     -0.614723D+00     -0.683972D+00
   zy         0.465194D+01      0.689346D+00      0.767001D+00
   zz         0.723989D+02      0.107284D+02      0.119370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.791179D+02      0.117241D+02      0.130448D+02
   aniso      0.140125D+02      0.207644D+01      0.231035D+01
   xx         0.856792D+02      0.126964D+02      0.141266D+02
   yx         0.119934D-01      0.177723D-02      0.197744D-02
   yy         0.757458D+02      0.112244D+02      0.124888D+02
   zx        -0.362473D+01     -0.537130D+00     -0.597638D+00
   zy         0.447374D+01      0.662940D+00      0.737620D+00
   zz         0.759286D+02      0.112515D+02      0.125189D+02

 ----------------------------------------------------------------------
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 FIREWORKS ENDED
 AND SPECTATORS GONE AWAY....
 AH, HOW VAST AND DARK
                     SHIKI
 Job cpu time:       0 days  3 hours 54 minutes 28.0 seconds.
 Elapsed time:       0 days  0 hours 29 minutes 20.1 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:00:09 2021.
